A0A087Y2D0_POEFO Loading...

glutamine--fructose-6-phosphate transaminase (isomerizing)

AlphaFold DB , UniProt , Accession A0A087Y2D0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 685 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	62.2	Low	92	Very high	17 Å²	17	12.7 Å²	12.7	8%	0.084	6%	0.061	C	C	.	.				0	160.2	0	-154	-164.5	-136.2	0	0	108	R33 G34 W96 A679 S681 T683	M1-R33 CarbonylContact C-O 3.56Å; M1-R33 HydrophobicContact CB-CB 4.17Å; M1-R33 VanDerWaalsContact CE-NH1 3.28Å; M1-R33 PolarHBondContact N-O 2.85Å; M1-R33 CarbonylContact O-C 3.58Å; M1-R33 HydrophobicContact SD-CB 4.28Å; M1-R33 VanDerWaalsContact SD-CD 3.58Å; M1-R33 HydrophobicContact SD-CG 3.89Å; M1-R33 PolarHBondContact SD-NH1 3.29Å; M1-G34 PolarHBondContact O-N 2.7Å; M1-W96 WeakPolarHBondContact O-CB 3.27Å; M1-A679 VanDerWaalsContact N-CB 3.3Å; M1-S681 WeakPolarHBondContact CB-O 3.27Å; M1-S681 WeakPolarHBondContact CE-OG 3.26Å; M1-S681 PolarHBondContact SD-OG 2.74Å; M1-T683 HydrophobicContact CE-CG2 3.13Å; M1-T683 HydrophobicContact CG-CG2 4.02Å; M1-T683 HydrophobicContact SD-CG2 4.28Å
2	C	85	Confident	92.3	Very high	19 Å²	19	13.9 Å²	13.9	13%	0.128	7%	0.07	C	C	.	.			trans	-114.1	167.1	178.9	-65.3	0	0	0	0	110.5	T94 W96 N123	C2-T94 CarbonylContact C-O 3.57Å; C2-T94 WeakPolarHBondContact CA-O 3.23Å; C2-T94 VanDerWaalsContact CB-O 3.27Å; C2-T94 WeakPolarHBondContact CB-O 3.36Å; C2-W96 PolarHBondContact SG-N 3.42Å; C2-N123 HydrophobicContact CB-CB 4.42Å; C2-N123 WeakPolarHBondContact CB-OD1 3.39Å; C2-N123 PolarHBondContact O-ND2 2.86Å
3	G	91.3	Very high	92.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	123.3	176.1	0	0	0	0	0	111.4	H93 T94	G3-H93 CarbonylContact O-C 3.48Å; G3-H93 VanDerWaalsContact O-CA 3.25Å; G3-H93 WeakPolarHBondContact O-CA 3.49Å; G3-H93 PolarHBondContact O-CD2 3.24Å; G3-T94 WeakPolarHBondContact CA-OG1 3.28Å; G3-T94 PolarHBondContact N-O 2.91Å; G3-T94 PolarHBondContact N-OG1 2.97Å; G3-T94 PolarHBondContact O-N 3.16Å
4	I	95.4	Very high	92.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	133.3	167.7	-77.1	166.1	0	0	0	107.8	L30 I121 N123 A186 V188 L207 A261 S262	I4-L30 VanDerWaalsContact O-CD1 3.22Å; I4-L30 WeakPolarHBondContact O-CD1 3.36Å; I4-I121 HydrophobicContact CB-CD1 4.17Å; I4-I121 HydrophobicContact CG1-CB 4.41Å; I4-I121 HydrophobicContact CG1-CD1 4.04Å; I4-I121 HydrophobicContact CG1-CG1 4.13Å; I4-I121 HydrophobicContact CG2-CD1 3.64Å; I4-I121 HydrophobicContact CG2-CG1 4.31Å; I4-N123 HydrophobicContact CD1-CB 3.99Å; I4-A186 HydrophobicContact CD1-CB 4.17Å; I4-A186 WeakPolarHBondContact CD1-O 3.23Å; I4-V188 HydrophobicContact CG2-CG2 3.74Å; I4-L207 HydrophobicContact CG2-CD1 4.18Å; I4-A261 VanDerWaalsContact O-CA 3.29Å; I4-A261 WeakPolarHBondContact O-CA 3.36Å; I4-S262 PolarHBondContact N-OG 2.93Å; I4-S262 PolarHBondContact O-N 3.16Å; I4-S262 VanDerWaalsContact O-N 3.15Å
5	F	97.1	Very high	93	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	135.5	166.1	-174.1	-105.6	0	0	0	109.9	I22 L23 L27 L30 A92 Y259 F260 A261 A268	F5-I22 HydrophobicContact CE1-CG2 3.98Å; F5-I22 WeakPolarHBondContact CE1-O 3.49Å; F5-I22 HydrophobicContact CZ-CG2 4.16Å; F5-L23 HydrophobicContact CD1-CD2 3.93Å; F5-L23 HydrophobicContact CE1-CD2 4.15Å; F5-L27 HydrophobicContact CB-CD2 4.31Å; F5-L30 HydrophobicContact CB-CD1 4.01Å; F5-A92 PolarHBondContact N-O 3.22Å; F5-A92 WeakPolarHBondContact O-CA 3.41Å; F5-A92 PolarHBondContact O-N 2.85Å; F5-Y259 HydrophobicContact CE2-CD1 4.42Å; F5-Y259 HydrophobicContact CZ-CD1 4.04Å; F5-F260 CarbonylContact C-O 3.52Å; F5-F260 VanDerWaalsContact CA-O 3.24Å; F5-F260 WeakPolarHBondContact CA-O 3.5Å; F5-A261 HydrophobicContact CD2-CB 4.41Å; F5-A268 HydrophobicContact CD2-CB 3.65Å; F5-A268 HydrophobicContact CE2-CB 3.89Å; F5-A268 WeakPolarHBondContact CE2-O 3.28Å
6	A	97.4	Very high	93	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	145.2	169.5	0	0	0	0	0	110.6	L89 G90 I91 V188 Y259 F260	A6-L89 HydrophobicContact CB-CD1 4.3Å; A6-G90 CarbonylContact C-O 3.42Å; A6-G90 WeakPolarHBondContact CA-O 3.45Å; A6-G90 WeakPolarHBondContact CB-O 3.43Å; A6-I91 HydrophobicContact CB-CB 4.29Å; A6-I91 HydrophobicContact CB-CG2 3.86Å; A6-V188 HydrophobicContact CB-CG1 4.07Å; A6-Y259 CarbonylContact O-C 3.44Å; A6-Y259 WeakPolarHBondContact O-CA 3.39Å; A6-F260 HydrophobicContact CB-CB 3.98Å; A6-F260 HydrophobicContact CB-CD2 4.07Å; A6-F260 HydrophobicContact CB-CG 4.36Å; A6-F260 PolarHBondContact N-O 2.93Å; A6-F260 PolarHBondContact O-N 3.29Å
7	Y	97.8	Very high	93.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.2	178.2	173.4	-122.8	0	0	0	109.1	N9 R14 I19 I22 G90 E257 Y259	Y7-N9 HydrophobicContact CE1-CB 4.02Å; Y7-N9 HydrophobicContact CE2-CB 4.47Å; Y7-R14 HydrophobicContact CE1-CG 4.38Å; Y7-R14 PolarHBondContact OH-NE 3.46Å; Y7-I19 HydrophobicContact CD1-CG1 4.49Å; Y7-I19 HydrophobicContact CD1-CG2 4.49Å; Y7-I19 HydrophobicContact CE1-CG1 4.26Å; Y7-I22 HydrophobicContact CD1-CB 4.38Å; Y7-I22 HydrophobicContact CD1-CD1 4.11Å; Y7-I22 HydrophobicContact CD1-CG2 4.01Å; Y7-I22 HydrophobicContact CD2-CG2 4.15Å; Y7-I22 HydrophobicContact CE1-CD1 3.59Å; Y7-I22 HydrophobicContact CE2-CD1 4.36Å; Y7-I22 HydrophobicContact CG-CG2 3.79Å; Y7-G90 PolarHBondContact N-O 3.33Å; Y7-G90 PolarHBondContact O-N 2.99Å; Y7-E257 HydrophobicContact CE2-CB 4.08Å; Y7-E257 HydrophobicContact CE2-CG 4.03Å; Y7-E257 PolarHBondContact OH-OE1 3.44Å; Y7-Y259 AromaticContact CD2-CD1 3.79Å; Y7-Y259 HydrophobicContact CD2-CD1 3.79Å; Y7-Y259 AromaticContact CD2-CE1 3.36Å; Y7-Y259 HydrophobicContact CD2-CE1 3.36Å; Y7-Y259 AromaticContact CD2-CZ 3.88Å; Y7-Y259 HydrophobicContact CE2-CD1 4.44Å; Y7-Y259 AromaticContact CE2-CE1 3.6Å; Y7-Y259 HydrophobicContact CE2-CE1 3.6Å; Y7-Y259 AromaticContact CE2-CZ 3.69Å; Y7-Y259 HydrophobicContact CG-CE1 4.44Å
8	L	97.8	Very high	93.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	113.7	173.8	-166.8	166.5	0	0	0	108.2	H88 L89 A198 E257 Y258 V287	L8-H88 VanDerWaalsContact CA-O 3.29Å; L8-H88 WeakPolarHBondContact CA-O 3.28Å; L8-L89 HydrophobicContact CB-CD1 3.98Å; L8-L89 HydrophobicContact CD1-CD1 4.35Å; L8-L89 HydrophobicContact CG-CB 4.48Å; L8-L89 HydrophobicContact CG-CD1 4.37Å; L8-A198 HydrophobicContact CD1-CB 3.8Å; L8-E257 CarbonylContact O-C 3.35Å; L8-E257 VanDerWaalsContact O-CA 3.28Å; L8-E257 WeakPolarHBondContact O-CA 3.25Å; L8-Y258 HydrophobicContact CD2-CD2 4.31Å; L8-Y258 PolarHBondContact N-O 3.05Å; L8-Y258 PolarHBondContact O-N 3.44Å; L8-V287 HydrophobicContact CD1-CB 3.96Å; L8-V287 HydrophobicContact CD1-CG1 3.71Å
9	N	96.9	Very high	93.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	127.1	166.7	57.5	-67.5	0	0	0	109.1	Y7 V12 R14 V85 V87 H88 E257	Y7-N9 HydrophobicContact CE1-CB 4.02Å; Y7-N9 HydrophobicContact CE2-CB 4.47Å; N9-V12 HydrophobicContact CB-CB 4.25Å; N9-V12 PolarHBondContact ND2-O 2.93Å; N9-R14 HydrophobicContact CB-CG 4.26Å; N9-V85 PolarHBondContact ND2-O 3.28Å; N9-V85 VanDerWaalsContact ND2-O 3.12Å; N9-V87 VanDerWaalsContact O-CA 3.28Å; N9-V87 WeakPolarHBondContact O-CA 3.34Å; N9-H88 PolarHBondContact N-O 2.96Å; N9-H88 VanDerWaalsContact N-O 3.15Å; N9-H88 PolarHBondContact O-N 3.15Å; N9-H88 VanDerWaalsContact O-N 3.07Å; N9-H88 WeakPolarHBondContact OD1-CB 3.37Å; N9-H88 PolarHBondContact OD1-O 3.34Å; N9-E257 HydrophobicContact CB-CG 4.43Å
10	Y	96.3	Very high	93.5	Very high	32 Å²	32	25.1 Å²	25.1	13%	0.125	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	111.7	179.6	-168.7	-96.7	0	0	0	109.6	V12 V87 K254 A255 V256 E289 G290	Y10-V12 PolarHBondContact O-N 3.23Å; Y10-V87 HydrophobicContact CD2-CB 4.35Å; Y10-V87 HydrophobicContact CD2-CG1 3.59Å; Y10-V87 HydrophobicContact CD2-CG2 3.8Å; Y10-V87 HydrophobicContact CE2-CG1 3.99Å; Y10-V87 HydrophobicContact CE2-CG2 3.95Å; Y10-V87 HydrophobicContact CG-CG2 4.39Å; Y10-K254 HydrophobicContact CD1-CB 4.49Å; Y10-K254 WeakPolarHBondContact CD1-O 3.46Å; Y10-K254 HydrophobicContact CE1-CB 4.23Å; Y10-A255 WeakPolarHBondContact O-CA 3.17Å; Y10-V256 HydrophobicContact CD1-CG1 4.32Å; Y10-V256 PolarHBondContact N-O 3.21Å; Y10-V256 PolarHBondContact O-N 3.13Å; Y10-E289 WeakPolarHBondContact CE1-O 3.44Å; Y10-E289 WeakPolarHBondContact OH-CA 3.41Å; Y10-E289 PolarHBondContact OH-O 2.81Å; Y10-G290 VanDerWaalsContact CD1-CA 3.43Å
11	H	95.1	Very high	93.6	Very high	72 Å²	72	28.9 Å²	28.9	33%	0.333	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	52.4	35.7	-169.9	-70.2	-71.4	0	0	0	113.1	D86 K254	H11-D86 WeakPolarHBondContact CA-O 3.49Å; H11-D86 PolarHBondContact N-O 2.91Å; H11-K254 HydrophobicContact CB-CB 4.05Å; H11-K254 VanDerWaalsContact CD2-CB 3.43Å; H11-K254 WeakPolarHBondContact CD2-CB 3.4Å; H11-K254 WeakPolarHBondContact NE2-CD 3.3Å
12	V	95.2	Very high	95.2	Very high	27 Å²	27	29.1 Å²	29.1	16%	0.164	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	96.7	170	178.5	0	0	0	0	105.4	N9 Y10 R14 D86 A255 E257	N9-V12 HydrophobicContact CB-CB 4.25Å; N9-V12 PolarHBondContact ND2-O 2.93Å; Y10-V12 PolarHBondContact O-N 3.23Å; V12-R14 PolarHBondContact O-N 2.93Å; V12-D86 PolarHBondContact N-O 3.25Å; V12-A255 HydrophobicContact CG2-CB 3.92Å; V12-E257 HydrophobicContact CB-CG 4.21Å; V12-E257 HydrophobicContact CG1-CG 4.25Å; V12-E257 HydrophobicContact CG2-CG 4.09Å
13	P	94.9	Very high	95.7	Very high	66 Å²	66	28.2 Å²	28.2	43%	0.429	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	129.2	-175.7	-22.8	31.7	0	0	0	111.1	E84 D86	P13-E84 HydrophobicContact CB-CG 3.95Å; P13-D86 WeakPolarHBondContact CG-OD1 3.32Å
14	R	96.2	Very high	95.8	Very high	70 Å²	70	28.4 Å²	28.4	26%	0.264	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	144.5	177.2	-67.9	-64.1	-173.5	-162.3	-8.1	109.9	Y7 N9 V12 D18 I19 E84 V85 E257	Y7-R14 HydrophobicContact CE1-CG 4.38Å; Y7-R14 PolarHBondContact OH-NE 3.46Å; N9-R14 HydrophobicContact CB-CG 4.26Å; V12-R14 PolarHBondContact O-N 2.93Å; R14-D18 HydrophobicContact CB-CB 4.41Å; R14-I19 HydrophobicContact CB-CD1 4.16Å; R14-I19 HydrophobicContact CB-CG1 3.87Å; R14-E84 WeakPolarHBondContact O-CA 3.35Å; R14-V85 PolarHBondContact N-O 3.03Å; R14-V85 VanDerWaalsContact N-O 3.1Å; R14-V85 PolarHBondContact O-N 2.92Å; R14-E257 IonicContact CZ-OE1 3.64Å; R14-E257 IonicContact NE-OE1 2.67Å; R14-E257 IonicContact NH2-OE1 3.87Å; R14-E257 PolarHBondContact NH2-OE1 2.83Å
15	T	96.1	Very high	95.7	Very high	32 Å²	32	32.4 Å²	32.4	20%	0.196	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	155.3	168.9	66.9	0	0	0	0	110.2	R17 D18 I19 I83	T15-R17 PolarHBondContact O-N 3.27Å; T15-D18 PolarHBondContact N-OD2 3.06Å; T15-D18 WeakPolarHBondContact O-CB 3.42Å; T15-D18 PolarHBondContact O-N 2.78Å; T15-D18 PolarHBondContact OG1-N 3.5Å; T15-D18 VanDerWaalsContact OG1-N 3.11Å; T15-D18 PolarHBondContact OG1-OD1 3.36Å; T15-D18 PolarHBondContact OG1-OD2 3.26Å; T15-I19 WeakPolarHBondContact O-CG1 3.37Å; T15-I19 PolarHBondContact O-N 3.24Å; T15-I83 CarbonylContact C-O 3.51Å; T15-I83 WeakPolarHBondContact CA-O 3.37Å
16	R	93.9	Very high	95.5	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.015	15%	0.154	C	C	.	.	H	α-helix	trans	-57.5	-33.3	172.4	-174.2	177.1	-67.8	159.5	-11.4	111.8	L20 I42 D43 G44 G45 N46 D80 L81 I83	R16-L20 HydrophobicContact CG-CD1 4.1Å; R16-L20 WeakPolarHBondContact O-CB 3.26Å; R16-L20 WeakPolarHBondContact O-CG 3.48Å; R16-L20 PolarHBondContact O-N 3.23Å; R16-I42 HydrophobicContact CG-CD1 4.05Å; R16-D43 PolarHBondContact NH2-O 3.29Å; R16-G44 PolarHBondContact NH2-O 2.75Å; R16-G45 VanDerWaalsContact CZ-O 3.3Å; R16-G45 PolarHBondContact NH1-O 3.16Å; R16-G45 PolarHBondContact NH2-O 3.03Å; R16-N46 PolarHBondContact NH1-OD1 3.42Å; R16-D80 WeakPolarHBondContact CD-O 3.41Å; R16-D80 PolarHBondContact NH1-O 3.27Å; R16-L81 PolarHBondContact N-O 3.45Å; R16-I83 PolarHBondContact N-O 2.95Å
17	R	94.6	Very high	95.2	Very high	101 Å²	101	32.4 Å²	32.4	38%	0.381	15%	0.154	S	C	.	.	H	α-helix	trans	-57.8	-53.5	170.5	-173	178.5	-65.3	137.2	11	111.3	T15 I19 L20 E21 L81 D82	T15-R17 PolarHBondContact O-N 3.27Å; R17-I19 VanDerWaalsContact C-N 3.29Å; R17-I19 PolarHBondContact O-N 3.26Å; R17-L20 PolarHBondContact O-N 3.31Å; R17-E21 HydrophobicContact CG-CG 4.5Å; R17-E21 WeakPolarHBondContact O-CG 3.48Å; R17-E21 PolarHBondContact O-N 3.24Å; R17-L81 HydrophobicContact CB-CB 4.22Å; R17-L81 PolarHBondContact N-O 2.92Å; R17-D82 IonicContact CZ-OD1 2.96Å; R17-D82 IonicContact NH1-OD1 3.22Å; R17-D82 PolarHBondContact NH1-OD1 3.4Å; R17-D82 IonicContact NH2-OD1 2.79Å; R17-D82 PolarHBondContact NH2-OD1 2.96Å; R17-D82 IonicContact NH2-OD2 2.74Å
18	D	95.6	Very high	94.9	Very high	58 Å²	58	38.5 Å²	38.5	31%	0.31	18%	0.177	S	C	.	.	H	α-helix	trans	-58.5	-42.9	-179.5	-58.4	-41.7	0	0	0	111.5	R14 T15 E21 I22	R14-D18 HydrophobicContact CB-CB 4.41Å; T15-D18 PolarHBondContact N-OD2 3.06Å; T15-D18 WeakPolarHBondContact O-CB 3.42Å; T15-D18 PolarHBondContact O-N 2.78Å; T15-D18 PolarHBondContact OG1-N 3.5Å; T15-D18 VanDerWaalsContact OG1-N 3.11Å; T15-D18 PolarHBondContact OG1-OD1 3.36Å; T15-D18 PolarHBondContact OG1-OD2 3.26Å; D18-E21 PolarHBondContact O-N 3.1Å; D18-I22 VanDerWaalsContact O-CG1 3.26Å; D18-I22 WeakPolarHBondContact O-CG1 3.46Å; D18-I22 PolarHBondContact O-N 3.25Å
19	I	96	Very high	94.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.5	-49.7	178.3	-67.5	162.9	0	0	0	110.4	Y7 R14 T15 R17 E21 I22 L23 V85 H88	Y7-I19 HydrophobicContact CD1-CG1 4.49Å; Y7-I19 HydrophobicContact CD1-CG2 4.49Å; Y7-I19 HydrophobicContact CE1-CG1 4.26Å; R14-I19 HydrophobicContact CB-CD1 4.16Å; R14-I19 HydrophobicContact CB-CG1 3.87Å; T15-I19 WeakPolarHBondContact O-CG1 3.37Å; T15-I19 PolarHBondContact O-N 3.24Å; R17-I19 VanDerWaalsContact C-N 3.29Å; R17-I19 PolarHBondContact O-N 3.26Å; I19-E21 VanDerWaalsContact C-N 3.34Å; I19-E21 PolarHBondContact O-N 3.32Å; I19-I22 PolarHBondContact O-N 3.1Å; I19-L23 HydrophobicContact CG2-CD1 4.32Å; I19-L23 WeakPolarHBondContact O-CG 3.47Å; I19-L23 PolarHBondContact O-N 2.72Å; I19-V85 HydrophobicContact CD1-CB 4.47Å; I19-H88 HydrophobicContact CD1-CB 3.87Å
20	L	96	Very high	94	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-63.3	-39.6	179.2	-76.2	165.1	0	0	0	111.9	R16 R17 L23 L24 V40 I42 I73 L79 L81	R16-L20 HydrophobicContact CG-CD1 4.1Å; R16-L20 WeakPolarHBondContact O-CB 3.26Å; R16-L20 WeakPolarHBondContact O-CG 3.48Å; R16-L20 PolarHBondContact O-N 3.23Å; R17-L20 PolarHBondContact O-N 3.31Å; L20-L23 PolarHBondContact O-N 2.77Å; L20-L24 WeakPolarHBondContact O-CB 3.44Å; L20-L24 VanDerWaalsContact O-CG 3.29Å; L20-L24 WeakPolarHBondContact O-CG 2.83Å; L20-L24 PolarHBondContact O-N 3.23Å; L20-V40 HydrophobicContact CD2-CG2 4.18Å; L20-I42 HydrophobicContact CD1-CD1 4.16Å; L20-I42 HydrophobicContact CD2-CD1 3.94Å; L20-I42 HydrophobicContact CD2-CG2 4.21Å; L20-I42 HydrophobicContact CG-CD1 4.18Å; L20-I73 HydrophobicContact CD1-CG2 3.81Å; L20-I73 HydrophobicContact CD2-CD1 4.23Å; L20-I73 HydrophobicContact CD2-CG2 4.28Å; L20-I73 HydrophobicContact CG-CG2 4.47Å; L20-L79 HydrophobicContact CD1-CD2 4.27Å; L20-L81 HydrophobicContact CD1-CD2 3.71Å
21	E	94.9	Very high	93.5	Very high	104 Å²	104	41 Å²	41	49%	0.486	19%	0.188	S	C	.	.	H	α-helix	trans	-63	-43.1	175.5	-74.9	-176.2	-168.2	0	0	112.1	R17 D18 I19 L24 K25	R17-E21 HydrophobicContact CG-CG 4.5Å; R17-E21 WeakPolarHBondContact O-CG 3.48Å; R17-E21 PolarHBondContact O-N 3.24Å; D18-E21 PolarHBondContact O-N 3.1Å; I19-E21 VanDerWaalsContact C-N 3.34Å; I19-E21 PolarHBondContact O-N 3.32Å; E21-L24 PolarHBondContact O-N 3.34Å; E21-K25 WeakPolarHBondContact O-CB 3.27Å; E21-K25 PolarHBondContact O-N 3.49Å
22	I	95.3	Very high	92.8	Very high	22 Å²	22	38.3 Å²	38.3	11%	0.113	18%	0.175	C	C	.	.	H	α-helix	trans	-61.7	-46.7	175.5	-70.1	166.1	0	0	0	110.4	F5 Y7 D18 I19 K25 G26 Y259	F5-I22 HydrophobicContact CE1-CG2 3.98Å; F5-I22 WeakPolarHBondContact CE1-O 3.49Å; F5-I22 HydrophobicContact CZ-CG2 4.16Å; Y7-I22 HydrophobicContact CD1-CB 4.38Å; Y7-I22 HydrophobicContact CD1-CD1 4.11Å; Y7-I22 HydrophobicContact CD1-CG2 4.01Å; Y7-I22 HydrophobicContact CD2-CG2 4.15Å; Y7-I22 HydrophobicContact CE1-CD1 3.59Å; Y7-I22 HydrophobicContact CE2-CD1 4.36Å; Y7-I22 HydrophobicContact CG-CG2 3.79Å; D18-I22 VanDerWaalsContact O-CG1 3.26Å; D18-I22 WeakPolarHBondContact O-CG1 3.46Å; D18-I22 PolarHBondContact O-N 3.25Å; I19-I22 PolarHBondContact O-N 3.1Å; I22-K25 PolarHBondContact O-N 2.95Å; I22-G26 PolarHBondContact O-N 2.87Å; I22-Y259 HydrophobicContact CG2-CE1 4.48Å
23	L	95.7	Very high	92	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.7	-48.4	177.1	-67.4	178.7	0	0	0	112	F5 I19 L20 K25 G26 L27 V40 I42 G90 A92	F5-L23 HydrophobicContact CD1-CD2 3.93Å; F5-L23 HydrophobicContact CE1-CD2 4.15Å; I19-L23 HydrophobicContact CG2-CD1 4.32Å; I19-L23 WeakPolarHBondContact O-CG 3.47Å; I19-L23 PolarHBondContact O-N 2.72Å; L20-L23 PolarHBondContact O-N 2.77Å; L23-K25 VanDerWaalsContact C-N 3.33Å; L23-K25 PolarHBondContact O-N 2.76Å; L23-G26 PolarHBondContact O-N 3.41Å; L23-L27 WeakPolarHBondContact O-CG 3.37Å; L23-L27 PolarHBondContact O-N 3.31Å; L23-V40 HydrophobicContact CB-CG1 4.3Å; L23-V40 HydrophobicContact CD1-CB 4.43Å; L23-V40 HydrophobicContact CD1-CG1 4.27Å; L23-I42 HydrophobicContact CD1-CG2 3.75Å; L23-G90 WeakPolarHBondContact CD2-O 3.35Å; L23-A92 HydrophobicContact CB-CB 4.06Å; L23-A92 HydrophobicContact CD2-CB 4.06Å; L23-A92 HydrophobicContact CG-CB 4.45Å
24	L	94.6	Very high	91.3	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.021	15%	0.149	C	C	.	.	H	α-helix	trans	-62.2	-41.4	178.8	-78	169.6	0	0	0	111.8	L20 E21 L27 R28 V66 L69 D70 I73	L20-L24 WeakPolarHBondContact O-CB 3.44Å; L20-L24 VanDerWaalsContact O-CG 3.29Å; L20-L24 WeakPolarHBondContact O-CG 2.83Å; L20-L24 PolarHBondContact O-N 3.23Å; E21-L24 PolarHBondContact O-N 3.34Å; L24-L27 PolarHBondContact O-N 2.93Å; L24-R28 WeakPolarHBondContact O-CG 3.39Å; L24-R28 PolarHBondContact O-N 2.97Å; L24-V66 HydrophobicContact CD2-CG1 4.02Å; L24-L69 HydrophobicContact CD2-CD2 4.27Å; L24-L69 HydrophobicContact CD2-CG 4.33Å; L24-D70 HydrophobicContact CD1-CB 4.19Å; L24-D70 WeakPolarHBondContact CD1-OD1 3.49Å; L24-D70 HydrophobicContact CD2-CB 4.12Å; L24-I73 HydrophobicContact CD1-CD1 3.86Å; L24-I73 HydrophobicContact CD2-CD1 3.84Å; L24-I73 HydrophobicContact CG-CD1 3.99Å
25	K	92.5	Very high	90.6	Very high	85 Å²	85	32.2 Å²	32.2	37%	0.37	14%	0.14	S	C	.	.	H	α-helix	trans	-64.8	-43	176.9	-165.6	172.7	176	-138.6	0	111	E21 I22 L23 L27 R28 R29 E271	E21-K25 WeakPolarHBondContact O-CB 3.27Å; E21-K25 PolarHBondContact O-N 3.49Å; I22-K25 PolarHBondContact O-N 2.95Å; L23-K25 VanDerWaalsContact C-N 3.33Å; L23-K25 PolarHBondContact O-N 2.76Å; K25-L27 VanDerWaalsContact C-N 3.34Å; K25-L27 PolarHBondContact O-N 2.89Å; K25-R28 PolarHBondContact O-N 3.47Å; K25-R29 WeakPolarHBondContact O-CG 3.37Å; K25-R29 PolarHBondContact O-N 2.95Å; K25-R29 VanDerWaalsContact O-N 3.11Å; K25-E271 WeakPolarHBondContact CD-OE1 3.41Å; K25-E271 VanDerWaalsContact CE-CD 3.44Å; K25-E271 WeakPolarHBondContact CE-OE1 3.25Å; K25-E271 WeakPolarHBondContact CE-OE2 3.47Å; K25-E271 WeakPolarHBondContact CG-OE1 3.46Å; K25-E271 IonicContact NZ-OE1 2.74Å; K25-E271 PolarHBondContact NZ-OE1 2.93Å; K25-E271 IonicContact NZ-OE2 2.67Å; K25-E271 PolarHBondContact NZ-OE2 3.12Å
26	G	91.9	Very high	90.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-56.1	-45.6	171	0	0	0	0	0	112.5	I22 L23 R28 R29 L30	I22-G26 PolarHBondContact O-N 2.87Å; L23-G26 PolarHBondContact O-N 3.41Å; G26-R28 PolarHBondContact O-N 3.47Å; G26-R29 WeakPolarHBondContact O-CB 3.45Å; G26-R29 PolarHBondContact O-N 2.91Å; G26-L30 WeakPolarHBondContact O-CG 3.46Å; G26-L30 PolarHBondContact O-N 3.43Å
27	L	92.5	Very high	90.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64	-40.2	175.6	-67.3	-168.1	0	0	0	113.2	F5 L23 L24 K25 R29 L30 E31 A38 V66 L69 A92 T94	F5-L27 HydrophobicContact CB-CD2 4.31Å; L23-L27 WeakPolarHBondContact O-CG 3.37Å; L23-L27 PolarHBondContact O-N 3.31Å; L24-L27 PolarHBondContact O-N 2.93Å; K25-L27 VanDerWaalsContact C-N 3.34Å; K25-L27 PolarHBondContact O-N 2.89Å; L27-R29 PolarHBondContact O-N 3.14Å; L27-L30 CarbonylContact O-C 3.52Å; L27-L30 WeakPolarHBondContact O-CA 3.43Å; L27-L30 PolarHBondContact O-N 3.2Å; L27-E31 PolarHBondContact O-N 2.6Å; L27-A38 HydrophobicContact CD1-CB 4.29Å; L27-V66 HydrophobicContact CB-CG1 3.88Å; L27-V66 HydrophobicContact CB-CG2 3.89Å; L27-L69 HydrophobicContact CD1-CD2 3.91Å; L27-A92 HydrophobicContact CD1-CB 3.96Å; L27-A92 HydrophobicContact CD2-CB 3.69Å; L27-A92 HydrophobicContact CG-CB 3.79Å; L27-T94 HydrophobicContact CB-CG2 4.07Å; L27-T94 HydrophobicContact CD1-CG2 4.34Å; L27-T94 HydrophobicContact CD2-CG2 4.08Å; L27-T94 HydrophobicContact CG-CG2 4.39Å
28	R	90.4	Very high	90.2	Very high	127 Å²	127	27.6 Å²	27.6	48%	0.479	12%	0.122	S	C	.	.	H	α-helix	trans	-59.9	-33.8	174.9	-70.4	173.1	-168.7	159.8	1.3	111.6	L24 K25 G26 L30 V66 D70	L24-R28 WeakPolarHBondContact O-CG 3.39Å; L24-R28 PolarHBondContact O-N 2.97Å; K25-R28 PolarHBondContact O-N 3.47Å; G26-R28 PolarHBondContact O-N 3.47Å; R28-L30 PolarHBondContact O-N 2.96Å; R28-V66 HydrophobicContact CG-CB 4.39Å; R28-V66 HydrophobicContact CG-CG1 3.89Å; R28-D70 IonicContact CZ-OD2 3.05Å; R28-D70 IonicContact NH2-OD2 3.19Å; R28-D70 PolarHBondContact NH2-OD2 2.88Å
29	R	88.4	Confident	90.2	Very high	47 Å²	47	24.8 Å²	24.8	18%	0.177	11%	0.108	C	C	.	.	H	α-helix	trans	-70.7	-17	173.5	-60.2	-54.7	-174.9	175.8	1.4	113.8	K25 G26 L27 Y32 S267 A268 E271 I319	K25-R29 WeakPolarHBondContact O-CG 3.37Å; K25-R29 PolarHBondContact O-N 2.95Å; K25-R29 VanDerWaalsContact O-N 3.11Å; G26-R29 WeakPolarHBondContact O-CB 3.45Å; G26-R29 PolarHBondContact O-N 2.91Å; L27-R29 PolarHBondContact O-N 3.14Å; R29-Y32 VanDerWaalsContact O-CD1 3.29Å; R29-Y32 WeakPolarHBondContact O-CD1 3.25Å; R29-Y32 WeakPolarHBondContact O-CE1 3.4Å; R29-S267 PolarHBondContact O-OG 3.03Å; R29-A268 HydrophobicContact CB-CB 4.04Å; R29-E271 IonicContact CZ-OE2 2.97Å; R29-E271 IonicContact NE-OE2 2.69Å; R29-E271 PolarHBondContact NE-OE2 3.12Å; R29-E271 VanDerWaalsContact NE-OE2 3.08Å; R29-E271 IonicContact NH2-OE2 3.46Å; R29-E271 PolarHBondContact NH2-OE2 3.47Å; R29-I319 PolarHBondContact NH1-O 2.81Å
30	L	88.6	Confident	90.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-110.7	-2.1	-178.5	-59.6	175.7	0	0	0	113.1	I4 F5 G26 L27 R28 Y32 R33 D263 A268	I4-L30 VanDerWaalsContact O-CD1 3.22Å; I4-L30 WeakPolarHBondContact O-CD1 3.36Å; F5-L30 HydrophobicContact CB-CD1 4.01Å; G26-L30 WeakPolarHBondContact O-CG 3.46Å; G26-L30 PolarHBondContact O-N 3.43Å; L27-L30 CarbonylContact O-C 3.52Å; L27-L30 WeakPolarHBondContact O-CA 3.43Å; L27-L30 PolarHBondContact O-N 3.2Å; R28-L30 PolarHBondContact O-N 2.96Å; L30-Y32 PolarHBondContact O-N 3.38Å; L30-R33 WeakPolarHBondContact O-CB 3.43Å; L30-R33 PolarHBondContact O-N 3.17Å; L30-D263 HydrophobicContact CD2-CB 3.52Å; L30-A268 HydrophobicContact CD1-CB 4.21Å; L30-A268 HydrophobicContact CD2-CB 4.14Å; L30-A268 HydrophobicContact CG-CB 4.03Å
31	E	86	Confident	90.4	Very high	39 Å²	39	24.6 Å²	24.6	18%	0.182	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-31.8	-175.9	-170.8	170	-119.5	0	0	112.2	L27 R33 G34 K65 V66	L27-E31 PolarHBondContact O-N 2.6Å; E31-R33 PolarHBondContact O-N 2.93Å; E31-R33 VanDerWaalsContact O-N 3.15Å; E31-G34 CarbonylContact O-C 3.59Å; E31-G34 PolarHBondContact O-N 3.41Å; E31-G34 VanDerWaalsContact O-N 3.17Å; E31-G34 VanDerWaalsContact O-O 3.11Å; E31-K65 WeakPolarHBondContact OE1-CB 3.43Å; E31-V66 HydrophobicContact CB-CG2 4.23Å; E31-V66 HydrophobicContact CG-CG2 4.15Å; E31-V66 WeakPolarHBondContact OE1-CB 3.41Å; E31-V66 WeakPolarHBondContact OE1-CG2 3.28Å; E31-V66 PolarHBondContact OE1-N 2.96Å
32	Y	78.5	Confident	90.5	Very high	15 Å²	15	19.7 Å²	19.7	6%	0.059	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.2	175.6	77.1	-95.7	0	0	0	113.6	R29 L30 D263 I473 K680	R29-Y32 VanDerWaalsContact O-CD1 3.29Å; R29-Y32 WeakPolarHBondContact O-CD1 3.25Å; R29-Y32 WeakPolarHBondContact O-CE1 3.4Å; L30-Y32 PolarHBondContact O-N 3.38Å; Y32-D263 PolarHBondContact OH-OD1 3.27Å; Y32-D263 VanDerWaalsContact OH-OD1 3.07Å; Y32-D263 PolarHBondContact OH-OD2 2.81Å; Y32-I473 WeakPolarHBondContact CB-O 3.47Å; Y32-I473 HydrophobicContact CD1-CD1 4.36Å; Y32-I473 HydrophobicContact CD1-CG2 3.88Å; Y32-I473 HydrophobicContact CE1-CD1 4.06Å; Y32-I473 HydrophobicContact CG-CG2 4Å; Y32-K680 HydrophobicContact CD2-CB 3.98Å; Y32-K680 HydrophobicContact CD2-CD 3.49Å; Y32-K680 VanDerWaalsContact CD2-CD 3.49Å; Y32-K680 HydrophobicContact CD2-CG 4.31Å; Y32-K680 HydrophobicContact CE2-CB 4.47Å; Y32-K680 HydrophobicContact CE2-CD 3.73Å
33	R	79.3	Confident	90.5	Very high	13 Å²	13	19.1 Å²	19.1	5%	0.049	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-38.1	177.2	-68.9	-173.3	160.6	-133.8	-9.7	111.3	M1 L30 E31 S262 D263 A679	M1-R33 CarbonylContact C-O 3.56Å; M1-R33 HydrophobicContact CB-CB 4.17Å; M1-R33 VanDerWaalsContact CE-NH1 3.28Å; M1-R33 PolarHBondContact N-O 2.85Å; M1-R33 CarbonylContact O-C 3.58Å; M1-R33 HydrophobicContact SD-CB 4.28Å; M1-R33 VanDerWaalsContact SD-CD 3.58Å; M1-R33 HydrophobicContact SD-CG 3.89Å; M1-R33 PolarHBondContact SD-NH1 3.29Å; L30-R33 WeakPolarHBondContact O-CB 3.43Å; L30-R33 PolarHBondContact O-N 3.17Å; E31-R33 PolarHBondContact O-N 2.93Å; E31-R33 VanDerWaalsContact O-N 3.15Å; R33-S262 PolarHBondContact NH1-O 3.06Å; R33-D263 IonicContact CZ-OD1 2.86Å; R33-D263 IonicContact NE-OD1 3.45Å; R33-D263 PolarHBondContact NE-OD1 3.06Å; R33-D263 IonicContact NH2-OD1 2.71Å; R33-D263 PolarHBondContact NH2-OD1 3.42Å; R33-A679 WeakPolarHBondContact O-CB 3.41Å
34	G	79.8	Confident	90.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	8%	0.083	C	C	.	.			trans	-171.8	147.9	175.4	0	0	0	0	0	113.3	M1 E31 T94	M1-G34 PolarHBondContact O-N 2.7Å; E31-G34 CarbonylContact O-C 3.59Å; E31-G34 PolarHBondContact O-N 3.41Å; E31-G34 VanDerWaalsContact O-N 3.17Å; E31-G34 VanDerWaalsContact O-O 3.11Å; G34-T94 VanDerWaalsContact O-CB 3.31Å; G34-T94 WeakPolarHBondContact O-CB 3.46Å
35	Y	81.7	Confident	89.9	Confident	21 Å²	21	20.8 Å²	20.8	8%	0.082	10%	0.099	C	C	.	.			trans	-150.2	17.1	-167.3	55.6	-93.4	0	0	0	113.9	S37 G64 W96 C674 P675 L678	Y35-S37 VanDerWaalsContact C-N 3.3Å; Y35-G64 CarbonylContact O-C 3.52Å; Y35-G64 VanDerWaalsContact O-C 3.32Å; Y35-W96 AromaticContact CE1-CZ3 3.9Å; Y35-W96 HydrophobicContact CE1-CZ3 3.9Å; Y35-C674 HydrophobicContact CD1-CB 4.37Å; Y35-C674 HydrophobicContact CE1-CB 4.09Å; Y35-C674 HydrophobicContact CE2-CB 4.46Å; Y35-P675 PolarHBondContact OH-O 3.06Å; Y35-L678 PolarHBondContact OH-O 3.29Å
36	D	86.8	Confident	89.8	Confident	38 Å²	38	20.6 Å²	20.6	20%	0.203	10%	0.102	C	C	.	.	S	Bend	trans	-70.8	-31.4	178	-66	-34.3	0	0	0	111.8	G64 R95 A97 P102	D36-G64 WeakPolarHBondContact O-CA 3.38Å; D36-G64 PolarHBondContact O-N 3.25Å; D36-R95 WeakPolarHBondContact CB-O 3.22Å; D36-R95 PolarHBondContact N-O 3.18Å; D36-R95 VanDerWaalsContact N-O 3.12Å; D36-A97 PolarHBondContact OD2-N 3.03Å; D36-P102 HydrophobicContact CB-CB 4.1Å; D36-P102 HydrophobicContact CB-CG 3.99Å
37	S	92.6	Very high	89.6	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	159.6	178	58.2	0	0	0	0	110.9	Y35 Q62 G64 R95 S107	Y35-S37 VanDerWaalsContact C-N 3.3Å; S37-Q62 WeakPolarHBondContact CA-O 3.39Å; S37-Q62 WeakPolarHBondContact CB-O 3.46Å; S37-G64 WeakPolarHBondContact CA-O 3.46Å; S37-R95 PolarHBondContact O-N 3.25Å; S37-S107 WeakPolarHBondContact CB-OG 3.17Å; S37-S107 PolarHBondContact OG-OG 3.38Å
38	A	96.3	Very high	89.3	Confident	2 Å²	2	32.7 Å²	32.7	2%	0.017	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	162.2	177.4	0	0	0	0	0	111.7	L27 Q62 V66 L69 H93 T94	L27-A38 HydrophobicContact CD1-CB 4.29Å; A38-Q62 PolarHBondContact N-O 3.4Å; A38-Q62 PolarHBondContact O-N 2.94Å; A38-Q62 VanDerWaalsContact O-O 3.12Å; A38-V66 HydrophobicContact CB-CG2 4.48Å; A38-L69 HydrophobicContact CB-CB 4.39Å; A38-L69 HydrophobicContact CB-CD2 3.75Å; A38-H93 CarbonylContact C-O 3.51Å; A38-H93 WeakPolarHBondContact CA-O 3.46Å; A38-H93 WeakPolarHBondContact CB-O 3.39Å; A38-T94 HydrophobicContact CB-CG2 4.04Å
39	G	97.2	Very high	89.2	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	162.8	174.4	0	0	0	0	0	114.2	I60 A92 H93 H108	G39-I60 CarbonylContact C-O 3.59Å; G39-I60 WeakPolarHBondContact CA-O 3.45Å; G39-A92 CarbonylContact O-C 3.45Å; G39-A92 WeakPolarHBondContact O-CA 3.32Å; G39-H93 PolarHBondContact N-O 3.19Å; G39-H93 PolarHBondContact O-N 3.44Å; G39-H108 WeakPolarHBondContact CA-O 3.4Å
40	V	97.9	Very high	89.1	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	150.7	176.7	-65.6	0	0	0	0	111.2	L20 L23 L59 I60 L69 I73 I91 A92	L20-V40 HydrophobicContact CD2-CG2 4.18Å; L23-V40 HydrophobicContact CB-CG1 4.3Å; L23-V40 HydrophobicContact CD1-CB 4.43Å; L23-V40 HydrophobicContact CD1-CG1 4.27Å; V40-L59 WeakPolarHBondContact O-CA 3.36Å; V40-I60 HydrophobicContact CG2-CB 3.98Å; V40-I60 PolarHBondContact N-O 3.45Å; V40-I60 PolarHBondContact O-N 3.48Å; V40-L69 HydrophobicContact CG1-CD2 4.2Å; V40-I73 HydrophobicContact CG2-CD1 4.03Å; V40-I73 HydrophobicContact CG2-CG1 4.43Å; V40-I91 CarbonylContact C-O 3.58Å; V40-I91 WeakPolarHBondContact CA-O 3.44Å; V40-A92 HydrophobicContact CG1-CB 3.83Å
41	G	97.6	Very high	89.1	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	120.1	170.9	0	0	0	0	0	110.8	R58 I91	G41-R58 WeakPolarHBondContact CA-O 3.37Å; G41-I91 PolarHBondContact N-O 3.02Å; G41-I91 PolarHBondContact O-N 2.7Å
42	I	96.5	Very high	89.2	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	166.3	-177.2	59.4	160.5	0	0	0	110.2	R16 L20 L23 I57 R58 L79 K190	R16-I42 HydrophobicContact CG-CD1 4.05Å; L20-I42 HydrophobicContact CD1-CD1 4.16Å; L20-I42 HydrophobicContact CD2-CD1 3.94Å; L20-I42 HydrophobicContact CD2-CG2 4.21Å; L20-I42 HydrophobicContact CG-CD1 4.18Å; L23-I42 HydrophobicContact CD1-CG2 3.75Å; I42-I57 CarbonylContact O-C 3.55Å; I42-I57 WeakPolarHBondContact O-CA 3.37Å; I42-R58 PolarHBondContact N-O 3.48Å; I42-R58 VanDerWaalsContact N-O 3.08Å; I42-R58 PolarHBondContact O-N 3.31Å; I42-L79 HydrophobicContact CD1-CD2 4.06Å; I42-K190 VanDerWaalsContact C-NZ 3.35Å
43	D	95.4	Very high	89.7	Confident	10 Å²	10	36.7 Å²	36.7	5%	0.053	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	134.6	170.3	-60.3	-29.8	0	0	0	110.8	R16 T56 H88 K190	R16-D43 PolarHBondContact NH2-O 3.29Å; D43-T56 CarbonylContact C-O 3.59Å; D43-T56 WeakPolarHBondContact CA-O 3.41Å; D43-H88 PolarHBondContact N-NE2 3.44Å; D43-H88 VanDerWaalsContact N-NE2 3.19Å; D43-H88 IonicContact OD2-CD2 3.21Å; D43-H88 PolarHBondContact OD2-CD2 2.68Å; D43-H88 IonicContact OD2-CG 3.26Å; D43-H88 IonicContact OD2-NE2 3.71Å; D43-K190 VanDerWaalsContact N-NZ 3.16Å; D43-K190 WeakPolarHBondContact OD1-CE 3.46Å; D43-K190 IonicContact OD1-NZ 2.81Å; D43-K190 PolarHBondContact OD1-NZ 3.2Å; D43-K190 IonicContact OD2-NZ 3.63Å
44	G	89.8	Confident	90.1	Very high	5 Å²	5	36.4 Å²	36.4	5%	0.052	19%	0.194	C	C	.	.			trans	-88.1	-159.4	177.6	0	0	0	0	0	112.5	R16 N53 T56	R16-G44 PolarHBondContact NH2-O 2.75Å; G44-N53 VanDerWaalsContact O-CB 3.26Å; G44-N53 WeakPolarHBondContact O-CB 3.46Å; G44-T56 WeakPolarHBondContact CA-OG1 3.45Å; G44-T56 PolarHBondContact N-O 3.05Å
45	G	88.9	Confident	90.5	Very high	34 Å²	34	44.2 Å²	44.2	35%	0.351	23%	0.227	S	C	.	.			trans	75.8	156.8	178	0	0	0	0	0	114	R16 N53 T56	R16-G45 VanDerWaalsContact CZ-O 3.3Å; R16-G45 PolarHBondContact NH1-O 3.16Å; R16-G45 PolarHBondContact NH2-O 3.03Å; G45-N53 WeakPolarHBondContact CA-OD1 3.42Å; G45-T56 PolarHBondContact N-OG1 3.45Å
46	N	89.6	Confident	91.1	Very high	82 Å²	82	46.2 Å²	46.2	44%	0.439	24%	0.242	S	C	.	.			trans	-122.2	24.6	177.9	-63	-31	0	0	0	112.3	R16 D78 D80 I83	R16-N46 PolarHBondContact NH1-OD1 3.42Å; N46-D78 PolarHBondContact ND2-O 3.29Å; N46-D80 HydrophobicContact CB-CB 4.33Å; N46-D80 PolarHBondContact OD1-N 3.31Å; N46-I83 VanDerWaalsContact CA-CD1 3.44Å; N46-I83 HydrophobicContact CB-CD1 4.15Å
47	S	88.5	Confident	91.5	Very high	48 Å²	48	45 Å²	45	34%	0.336	24%	0.235	S	C	.	.			trans	-69.6	142.1	173.9	-174.7	0	0	0	0	109.6	D49 S52 N53	S47-D49 PolarHBondContact O-N 2.85Å; S47-D49 PolarHBondContact OG-N 3.5Å; S47-D49 PolarHBondContact OG-O 3.16Å; S47-S52 WeakPolarHBondContact CB-OG 3.38Å; S47-S52 PolarHBondContact OG-OG 3.16Å; S47-N53 VanDerWaalsContact CB-OD1 3.27Å; S47-N53 WeakPolarHBondContact CB-OD1 3.5Å; S47-N53 PolarHBondContact N-OD1 2.62Å; S47-N53 PolarHBondContact O-ND2 2.69Å
48	K	86.1	Confident	91.7	Very high	205 Å²	205	49.7 Å²	49.7	89%	0.891	25%	0.253	S	S	*	.	S	Bend	trans	-69.1	-23.7	171.9	-67.3	-172.6	178.4	-174.6	0	112.4
49	D	88.5	Confident	91.8	Very high	83 Å²	83	51 Å²	51	44%	0.444	26%	0.26	S	S	.	.	S	Bend	trans	-84.4	109.3	170.9	173.6	22	0	0	0	109.2	S47 E51 S52	S47-D49 PolarHBondContact O-N 2.85Å; S47-D49 PolarHBondContact OG-N 3.5Å; S47-D49 PolarHBondContact OG-O 3.16Å; D49-E51 VanDerWaalsContact C-N 3.26Å; D49-E51 PolarHBondContact O-N 3.39Å; D49-E51 PolarHBondContact OD1-N 2.85Å; D49-S52 PolarHBondContact O-N 2.89Å; D49-S52 PolarHBondContact O-OG 2.95Å
50	W	86.3	Confident	91.7	Very high	53 Å²	53	51.3 Å²	51.3	20%	0.201	26%	0.261	C	S	.	.	H	α-helix	trans	-66.9	-27.7	-174.4	72.8	-99.6	0	0	0	112.7	S52 N53 A54 V85 D86 V87	W50-S52 VanDerWaalsContact C-N 3.28Å; W50-S52 PolarHBondContact O-N 3.4Å; W50-N53 WeakPolarHBondContact O-CB 3.28Å; W50-N53 PolarHBondContact O-N 3.29Å; W50-N53 VanDerWaalsContact O-N 3.14Å; W50-A54 PolarHBondContact O-N 2.98Å; W50-V85 HydrophobicContact CB-CB 4.29Å; W50-V85 HydrophobicContact CB-CG1 3.95Å; W50-V85 HydrophobicContact CB-CG2 4.23Å; W50-V85 HydrophobicContact CD2-CG1 4.1Å; W50-V85 HydrophobicContact CE3-CG1 3.87Å; W50-V85 HydrophobicContact CG-CG1 4.14Å; W50-D86 HydrophobicContact CZ2-CB 4.05Å; W50-D86 PolarHBondContact NE1-OD2 3.01Å; W50-V87 HydrophobicContact CH2-CB 3.56Å; W50-V87 HydrophobicContact CH2-CG2 3.85Å; W50-V87 HydrophobicContact CZ2-CB 4.31Å; W50-V87 HydrophobicContact CZ2-CG2 4.27Å; W50-V87 HydrophobicContact CZ3-CB 3.74Å; W50-V87 WeakPolarHBondContact CZ3-O 3.5Å
51	E	87.6	Confident	91.7	Very high	123 Å²	123	52.9 Å²	52.9	58%	0.575	27%	0.268	S	S	*	.	H	α-helix	trans	-64.4	-37	179.3	-65.4	-174.6	176.1	0	0	111.3	D49 N53 A54	D49-E51 VanDerWaalsContact C-N 3.26Å; D49-E51 PolarHBondContact O-N 3.39Å; D49-E51 PolarHBondContact OD1-N 2.85Å; E51-N53 VanDerWaalsContact C-N 3.27Å; E51-N53 PolarHBondContact O-N 3.06Å; E51-A54 PolarHBondContact O-N 2.93Å
52	S	88.8	Confident	91.6	Very high	46 Å²	46	55.4 Å²	55.4	32%	0.322	28%	0.28	S	S	.	.	H	α-helix	trans	-67	-28.4	177.3	71.3	0	0	0	0	113.2	S47 D49 W50	S47-S52 WeakPolarHBondContact CB-OG 3.38Å; S47-S52 PolarHBondContact OG-OG 3.16Å; D49-S52 PolarHBondContact O-N 2.89Å; D49-S52 PolarHBondContact O-OG 2.95Å; W50-S52 VanDerWaalsContact C-N 3.28Å; W50-S52 PolarHBondContact O-N 3.4Å
53	N	89.1	Confident	91.5	Very high	8 Å²	8	63 Å²	63	4%	0.043	31%	0.308	C	S	.	.	H	α-helix	trans	-73.9	-28.7	-179.5	-71.5	-30.3	0	0	0	112.6	G44 G45 S47 W50 E51 K55 T56	G44-N53 VanDerWaalsContact O-CB 3.26Å; G44-N53 WeakPolarHBondContact O-CB 3.46Å; G45-N53 WeakPolarHBondContact CA-OD1 3.42Å; S47-N53 VanDerWaalsContact CB-OD1 3.27Å; S47-N53 WeakPolarHBondContact CB-OD1 3.5Å; S47-N53 PolarHBondContact N-OD1 2.62Å; S47-N53 PolarHBondContact O-ND2 2.69Å; W50-N53 WeakPolarHBondContact O-CB 3.28Å; W50-N53 PolarHBondContact O-N 3.29Å; W50-N53 VanDerWaalsContact O-N 3.14Å; E51-N53 VanDerWaalsContact C-N 3.27Å; E51-N53 PolarHBondContact O-N 3.06Å; N53-K55 PolarHBondContact O-N 3.36Å; N53-T56 PolarHBondContact O-N 3.15Å; N53-T56 PolarHBondContact O-OG1 3.34Å
54	A	86.8	Confident	91.3	Very high	7 Å²	7	63.7 Å²	63.7	6%	0.058	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-13.9	-177.8	0	0	0	0	0	114.2	W50 E51 T56 P195	W50-A54 PolarHBondContact O-N 2.98Å; E51-A54 PolarHBondContact O-N 2.93Å; A54-T56 PolarHBondContact O-N 3.43Å; A54-P195 HydrophobicContact CB-CB 3.74Å
55	K	89.3	Confident	91.2	Very high	163 Å²	163	67.1 Å²	67.1	71%	0.709	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-4.4	174.6	-62.7	-176	-178.5	178.8	0	113.9	N53	N53-K55 PolarHBondContact O-N 3.36Å
56	T	93.1	Very high	91.4	Very high	64 Å²	64	65.6 Å²	65.6	39%	0.393	32%	0.315	S	S	.	.			trans	-129.6	134	-178.3	63.5	0	0	0	0	110.1	D43 G44 G45 N53 A54	D43-T56 CarbonylContact C-O 3.59Å; D43-T56 WeakPolarHBondContact CA-O 3.41Å; G44-T56 WeakPolarHBondContact CA-OG1 3.45Å; G44-T56 PolarHBondContact N-O 3.05Å; G45-T56 PolarHBondContact N-OG1 3.45Å; N53-T56 PolarHBondContact O-N 3.15Å; N53-T56 PolarHBondContact O-OG1 3.34Å; A54-T56 PolarHBondContact O-N 3.43Å
57	I	96.6	Very high	91.5	Very high	11 Å²	11	68.3 Å²	68.3	6%	0.056	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.7	176.3	-72.5	175.5	0	0	0	109.1	I42 L59 N116 I119 K190 V192	I42-I57 CarbonylContact O-C 3.55Å; I42-I57 WeakPolarHBondContact O-CA 3.37Å; I57-L59 HydrophobicContact CG2-CD2 4.19Å; I57-N116 HydrophobicContact CB-CB 3.95Å; I57-N116 HydrophobicContact CG2-CB 3.98Å; I57-N116 PolarHBondContact O-ND2 3.2Å; I57-I119 HydrophobicContact CD1-CG1 4.36Å; I57-I119 HydrophobicContact CG2-CD1 3.77Å; I57-I119 HydrophobicContact CG2-CG1 4.43Å; I57-I119 HydrophobicContact CG2-CG2 4.13Å; I57-K190 HydrophobicContact CD1-CD 4.24Å; I57-K190 HydrophobicContact CD1-CG 4.01Å; I57-V192 HydrophobicContact CB-CG1 4.47Å; I57-V192 HydrophobicContact CD1-CG1 3.72Å; I57-V192 HydrophobicContact CG1-CG1 3.72Å
58	R	96	Very high	91.8	Very high	100 Å²	100	67.4 Å²	67.4	38%	0.377	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	130.5	173.1	-173.1	66.7	171.3	-162.1	-5.6	109.6	G41 I42 I60	G41-R58 WeakPolarHBondContact CA-O 3.37Å; I42-R58 PolarHBondContact N-O 3.48Å; I42-R58 VanDerWaalsContact N-O 3.08Å; I42-R58 PolarHBondContact O-N 3.31Å; R58-I60 HydrophobicContact CG-CG1 4.39Å
59	L	97.3	Very high	92.2	Very high	29 Å²	29	57.7 Å²	57.7	15%	0.152	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.2	173.4	-62.2	-178.3	0	0	0	109.7	V40 I57 P109 R111 I119	V40-L59 WeakPolarHBondContact O-CA 3.36Å; I57-L59 HydrophobicContact CG2-CD2 4.19Å; L59-P109 HydrophobicContact CD2-CB 3.96Å; L59-P109 HydrophobicContact CD2-CG 3.96Å; L59-R111 HydrophobicContact CD1-CB 4.13Å; L59-R111 HydrophobicContact CD1-CG 4.49Å; L59-I119 HydrophobicContact CD1-CG2 4.3Å; L59-I119 HydrophobicContact CD2-CD1 3.83Å; L59-I119 HydrophobicContact CD2-CG2 4.16Å
60	I	97.1	Very high	92.5	Very high	7 Å²	7	55.1 Å²	55.1	4%	0.036	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	117.3	172	-55.1	168	0	0	0	106.4	G39 V40 R58 L69 E72 I73 Q76 L79	G39-I60 CarbonylContact C-O 3.59Å; G39-I60 WeakPolarHBondContact CA-O 3.45Å; V40-I60 HydrophobicContact CG2-CB 3.98Å; V40-I60 PolarHBondContact N-O 3.45Å; V40-I60 PolarHBondContact O-N 3.48Å; R58-I60 HydrophobicContact CG-CG1 4.39Å; I60-L69 HydrophobicContact CG2-CD1 3.96Å; I60-L69 WeakPolarHBondContact O-CD1 3.38Å; I60-E72 HydrophobicContact CG2-CB 4.42Å; I60-E72 HydrophobicContact CG2-CG 3.93Å; I60-I73 HydrophobicContact CB-CG1 4.4Å; I60-I73 HydrophobicContact CD1-CG1 3.93Å; I60-I73 HydrophobicContact CG2-CG1 3.96Å; I60-Q76 HydrophobicContact CD1-CG 3.88Å; I60-Q76 HydrophobicContact CG1-CG 4.48Å; I60-L79 HydrophobicContact CD1-CD2 4.5Å
61	K	96.9	Very high	92.9	Very high	33 Å²	33	57 Å²	57	14%	0.143	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	134.6	-172.4	-57.9	-167.7	-70.8	173.8	0	109.1	P104 V105 S107 P109	K61-P104 HydrophobicContact CB-CB 4.44Å; K61-P104 WeakPolarHBondContact CE-O 3.29Å; K61-P104 PolarHBondContact NZ-O 2.85Å; K61-P104 VanDerWaalsContact NZ-O 3.1Å; K61-V105 PolarHBondContact NZ-O 3.26Å; K61-S107 VanDerWaalsContact CD-O 3.29Å; K61-S107 WeakPolarHBondContact CD-O 3.43Å; K61-S107 PolarHBondContact NZ-O 2.91Å; K61-P109 WeakPolarHBondContact CD-O 3.03Å; K61-P109 PolarHBondContact NZ-O 3.11Å
62	Q	95.7	Very high	93.2	Very high	52 Å²	52	53.5 Å²	53.5	24%	0.243	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	145.1	-176.6	-171.2	59.9	-56.2	0	0	112	S37 A38 A68 L69 E72	S37-Q62 WeakPolarHBondContact CA-O 3.39Å; S37-Q62 WeakPolarHBondContact CB-O 3.46Å; A38-Q62 PolarHBondContact N-O 3.4Å; A38-Q62 PolarHBondContact O-N 2.94Å; A38-Q62 VanDerWaalsContact O-O 3.12Å; Q62-A68 HydrophobicContact CG-CB 3.96Å; Q62-L69 HydrophobicContact CB-CB 4.29Å; Q62-L69 HydrophobicContact CB-CD1 4.14Å; Q62-E72 HydrophobicContact CB-CB 4.49Å; Q62-E72 HydrophobicContact CG-CB 4.48Å
63	R	94.1	Very high	93.4	Very high	160 Å²	160	51.5 Å²	51.5	60%	0.604	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	140.2	171.5	-176.9	-174.3	174	-177.6	-2.6	109.9	P102	R63-P102 VanDerWaalsContact CD-O 3.31Å; R63-P102 WeakPolarHBondContact CD-O 3.46Å; R63-P102 HydrophobicContact CG-CB 4.29Å
64	G	90.4	Very high	93.4	Very high	24 Å²	24	56.8 Å²	56.8	25%	0.247	27%	0.267	C	S	.	.	S	Bend	trans	102.3	-165.3	178.9	0	0	0	0	0	113.3	Y35 D36 S37	Y35-G64 CarbonylContact O-C 3.52Å; Y35-G64 VanDerWaalsContact O-C 3.32Å; D36-G64 WeakPolarHBondContact O-CA 3.38Å; D36-G64 PolarHBondContact O-N 3.25Å; S37-G64 WeakPolarHBondContact CA-O 3.46Å
65	K	89.7	Confident	93.6	Very high	78 Å²	78	62.5 Å²	62.5	34%	0.339	29%	0.29	S	S	.	.	S	Bend	trans	-63.4	163.2	-177.6	-66.5	-167.7	175.8	-168.2	0	112.4	E31 K67 A68 D671	E31-K65 WeakPolarHBondContact OE1-CB 3.43Å; K65-K67 PolarHBondContact O-N 3.36Å; K65-K67 VanDerWaalsContact O-N 3.12Å; K65-A68 WeakPolarHBondContact O-CB 3.42Å; K65-A68 PolarHBondContact O-N 3.17Å; K65-D671 IonicContact NZ-OD2 3.08Å; K65-D671 PolarHBondContact NZ-OD2 3.23Å
66	V	92.8	Very high	93.5	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-57.7	-30.8	179.7	-179.9	0	0	0	0	111.7	L24 L27 R28 E31 A38 A68 L69 D70 T94	L24-V66 HydrophobicContact CD2-CG1 4.02Å; L27-V66 HydrophobicContact CB-CG1 3.88Å; L27-V66 HydrophobicContact CB-CG2 3.89Å; R28-V66 HydrophobicContact CG-CB 4.39Å; R28-V66 HydrophobicContact CG-CG1 3.89Å; E31-V66 HydrophobicContact CB-CG2 4.23Å; E31-V66 HydrophobicContact CG-CG2 4.15Å; E31-V66 WeakPolarHBondContact OE1-CB 3.41Å; E31-V66 WeakPolarHBondContact OE1-CG2 3.28Å; E31-V66 PolarHBondContact OE1-N 2.96Å; A38-V66 HydrophobicContact CB-CG2 4.48Å; V66-A68 VanDerWaalsContact C-N 3.29Å; V66-A68 PolarHBondContact O-N 2.92Å; V66-L69 WeakPolarHBondContact O-CB 3.36Å; V66-L69 PolarHBondContact O-N 2.78Å; V66-L69 VanDerWaalsContact O-N 3.15Å; V66-D70 PolarHBondContact O-N 3.3Å; V66-T94 HydrophobicContact CG2-CG2 3.58Å
67	K	92.1	Very high	93.1	Very high	139 Å²	139	62.5 Å²	62.5	60%	0.604	29%	0.289	S	S	*	.	H	α-helix	trans	-58.2	-37.7	173.8	-170.6	-178.8	177.2	-174.4	0	113.2	K65 L69 D70 E71	K65-K67 PolarHBondContact O-N 3.36Å; K65-K67 VanDerWaalsContact O-N 3.12Å; K67-L69 VanDerWaalsContact C-N 3.32Å; K67-D70 WeakPolarHBondContact O-CB 3.39Å; K67-D70 PolarHBondContact O-N 2.77Å; K67-E71 WeakPolarHBondContact CE-OE1 3.5Å; K67-E71 WeakPolarHBondContact O-CG 3.43Å; K67-E71 PolarHBondContact O-N 3.24Å
68	A	93.5	Very high	92.6	Very high	30 Å²	30	67.7 Å²	67.7	25%	0.248	32%	0.317	C	S	.	.	H	α-helix	trans	-68.6	-35.1	178	0	0	0	0	0	111.7	Q62 K65 V66 E72	Q62-A68 HydrophobicContact CG-CB 3.96Å; K65-A68 WeakPolarHBondContact O-CB 3.42Å; K65-A68 PolarHBondContact O-N 3.17Å; V66-A68 VanDerWaalsContact C-N 3.29Å; V66-A68 PolarHBondContact O-N 2.92Å; A68-E72 WeakPolarHBondContact O-CB 3.33Å; A68-E72 PolarHBondContact O-N 3.06Å; A68-E72 VanDerWaalsContact O-N 3.1Å
69	L	95.5	Very high	92.2	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-67.7	-41.6	173.6	178.4	65.4	0	0	0	111.6	L24 L27 A38 V40 I60 Q62 V66 K67 E72 I73	L24-L69 HydrophobicContact CD2-CD2 4.27Å; L24-L69 HydrophobicContact CD2-CG 4.33Å; L27-L69 HydrophobicContact CD1-CD2 3.91Å; A38-L69 HydrophobicContact CB-CB 4.39Å; A38-L69 HydrophobicContact CB-CD2 3.75Å; V40-L69 HydrophobicContact CG1-CD2 4.2Å; I60-L69 HydrophobicContact CG2-CD1 3.96Å; I60-L69 WeakPolarHBondContact O-CD1 3.38Å; Q62-L69 HydrophobicContact CB-CB 4.29Å; Q62-L69 HydrophobicContact CB-CD1 4.14Å; V66-L69 WeakPolarHBondContact O-CB 3.36Å; V66-L69 PolarHBondContact O-N 2.78Å; V66-L69 VanDerWaalsContact O-N 3.15Å; K67-L69 VanDerWaalsContact C-N 3.32Å; L69-E72 WeakPolarHBondContact O-CB 3.25Å; L69-E72 PolarHBondContact O-N 3.22Å; L69-E72 VanDerWaalsContact O-N 3.13Å; L69-I73 HydrophobicContact CD1-CD1 4.4Å; L69-I73 HydrophobicContact CG-CD1 4.02Å; L69-I73 WeakPolarHBondContact O-CG1 3.46Å; L69-I73 PolarHBondContact O-N 3.3Å
70	D	94.9	Very high	91.9	Very high	28 Å²	28	65.6 Å²	65.6	15%	0.15	31%	0.313	C	S	.	.	H	α-helix	trans	-57.8	-48.7	175.8	-172.2	13	0	0	0	111.5	L24 R28 V66 K67 E72 I73 H74	L24-D70 HydrophobicContact CD1-CB 4.19Å; L24-D70 WeakPolarHBondContact CD1-OD1 3.49Å; L24-D70 HydrophobicContact CD2-CB 4.12Å; R28-D70 IonicContact CZ-OD2 3.05Å; R28-D70 IonicContact NH2-OD2 3.19Å; R28-D70 PolarHBondContact NH2-OD2 2.88Å; V66-D70 PolarHBondContact O-N 3.3Å; K67-D70 WeakPolarHBondContact O-CB 3.39Å; K67-D70 PolarHBondContact O-N 2.77Å; D70-E72 VanDerWaalsContact C-N 3.28Å; D70-E72 PolarHBondContact O-N 3.5Å; D70-I73 PolarHBondContact O-N 3.05Å; D70-H74 PolarHBondContact O-N 2.88Å; D70-H74 PolarHBondContact O-ND1 3.44Å; D70-H74 IonicContact OD1-CE1 3.59Å; D70-H74 PolarHBondContact OD1-CE1 2.94Å; D70-H74 IonicContact OD1-ND1 3.08Å; D70-H74 PolarHBondContact OD1-ND1 2.64Å
71	E	94	Very high	91.6	Very high	94 Å²	94	66.9 Å²	66.9	44%	0.439	32%	0.32	S	S	.	.	H	α-helix	trans	-61.4	-34.9	174	-70.3	172.6	-164.2	0	0	112.6	K67 K75	K67-E71 WeakPolarHBondContact CE-OE1 3.5Å; K67-E71 WeakPolarHBondContact O-CG 3.43Å; K67-E71 PolarHBondContact O-N 3.24Å; E71-K75 WeakPolarHBondContact O-CD 3.45Å; E71-K75 VanDerWaalsContact O-CG 3.27Å; E71-K75 WeakPolarHBondContact O-CG 3.38Å; E71-K75 PolarHBondContact O-N 2.7Å
72	E	94.1	Very high	91.4	Very high	49 Å²	49	70.1 Å²	70.1	23%	0.229	34%	0.338	C	S	.	.	H	α-helix	trans	-71.6	-36.7	178.7	-171	57.5	-148.1	0	0	112.6	I60 Q62 A68 L69 D70 K75 Q76	I60-E72 HydrophobicContact CG2-CB 4.42Å; I60-E72 HydrophobicContact CG2-CG 3.93Å; Q62-E72 HydrophobicContact CB-CB 4.49Å; Q62-E72 HydrophobicContact CG-CB 4.48Å; A68-E72 WeakPolarHBondContact O-CB 3.33Å; A68-E72 PolarHBondContact O-N 3.06Å; A68-E72 VanDerWaalsContact O-N 3.1Å; L69-E72 WeakPolarHBondContact O-CB 3.25Å; L69-E72 PolarHBondContact O-N 3.22Å; L69-E72 VanDerWaalsContact O-N 3.13Å; D70-E72 VanDerWaalsContact C-N 3.28Å; D70-E72 PolarHBondContact O-N 3.5Å; E72-K75 PolarHBondContact O-N 3.06Å; E72-Q76 PolarHBondContact OE1-NE2 2.91Å
73	I	92.2	Very high	91.2	Very high	4 Å²	4	68.2 Å²	68.2	2%	0.021	33%	0.33	C	S	.	.	H	α-helix	trans	-62.7	-45	175.3	-71.9	161.8	0	0	0	110.3	L20 L24 V40 I60 L69 D70 K75 Q76	L20-I73 HydrophobicContact CD1-CG2 3.81Å; L20-I73 HydrophobicContact CD2-CD1 4.23Å; L20-I73 HydrophobicContact CD2-CG2 4.28Å; L20-I73 HydrophobicContact CG-CG2 4.47Å; L24-I73 HydrophobicContact CD1-CD1 3.86Å; L24-I73 HydrophobicContact CD2-CD1 3.84Å; L24-I73 HydrophobicContact CG-CD1 3.99Å; V40-I73 HydrophobicContact CG2-CD1 4.03Å; V40-I73 HydrophobicContact CG2-CG1 4.43Å; I60-I73 HydrophobicContact CB-CG1 4.4Å; I60-I73 HydrophobicContact CD1-CG1 3.93Å; I60-I73 HydrophobicContact CG2-CG1 3.96Å; L69-I73 HydrophobicContact CD1-CD1 4.4Å; L69-I73 HydrophobicContact CG-CD1 4.02Å; L69-I73 WeakPolarHBondContact O-CG1 3.46Å; L69-I73 PolarHBondContact O-N 3.3Å; D70-I73 PolarHBondContact O-N 3.05Å; I73-K75 PolarHBondContact O-N 2.82Å; I73-Q76 WeakPolarHBondContact O-CB 3.43Å; I73-Q76 WeakPolarHBondContact O-CG 3.48Å; I73-Q76 PolarHBondContact O-N 2.86Å
74	H	89	Confident	91.3	Very high	118 Å²	118	66.1 Å²	66.1	55%	0.546	33%	0.327	S	S	.	.	H	α-helix	trans	-69.8	-15.6	-179.9	-71.5	87.3	0	0	0	114	D70	D70-H74 PolarHBondContact O-N 2.88Å; D70-H74 PolarHBondContact O-ND1 3.44Å; D70-H74 IonicContact OD1-CE1 3.59Å; D70-H74 PolarHBondContact OD1-CE1 2.94Å; D70-H74 IonicContact OD1-ND1 3.08Å; D70-H74 PolarHBondContact OD1-ND1 2.64Å
75	K	91.1	Very high	91.4	Very high	127 Å²	127	65.3 Å²	65.3	55%	0.552	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-11.9	175.2	-73.8	169.1	-167.1	168.8	0	113.6	E71 E72 I73 Q77	E71-K75 WeakPolarHBondContact O-CD 3.45Å; E71-K75 VanDerWaalsContact O-CG 3.27Å; E71-K75 WeakPolarHBondContact O-CG 3.38Å; E71-K75 PolarHBondContact O-N 2.7Å; E72-K75 PolarHBondContact O-N 3.06Å; I73-K75 PolarHBondContact O-N 2.82Å; K75-Q77 PolarHBondContact O-N 2.83Å; K75-Q77 VanDerWaalsContact O-N 3.08Å
76	Q	87.8	Confident	91.6	Very high	40 Å²	40	64 Å²	64	19%	0.187	31%	0.314	C	S	.	.			trans	-70.8	105	-178.2	-61.4	-65.7	-53.6	0	0	110.3	I60 E72 I73 D78 L79	I60-Q76 HydrophobicContact CD1-CG 3.88Å; I60-Q76 HydrophobicContact CG1-CG 4.48Å; E72-Q76 PolarHBondContact OE1-NE2 2.91Å; I73-Q76 WeakPolarHBondContact O-CB 3.43Å; I73-Q76 WeakPolarHBondContact O-CG 3.48Å; I73-Q76 PolarHBondContact O-N 2.86Å; Q76-D78 VanDerWaalsContact C-N 3.35Å; Q76-L79 HydrophobicContact CB-CB 4.14Å
77	Q	84.3	Confident	91.7	Very high	187 Å²	187	64.5 Å²	64.5	87%	0.874	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-24.7	177	-63.7	-176	-3.6	0	0	112.7	K75 L79	K75-Q77 PolarHBondContact O-N 2.83Å; K75-Q77 VanDerWaalsContact O-N 3.08Å; Q77-L79 VanDerWaalsContact C-N 3.28Å; Q77-L79 PolarHBondContact O-N 2.96Å
78	D	86.9	Confident	92	Very high	121 Å²	121	58 Å²	58	65%	0.647	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-2.2	-175	-58	-30.9	0	0	0	113.6	N46 Q76	N46-D78 PolarHBondContact ND2-O 3.29Å; Q76-D78 VanDerWaalsContact C-N 3.35Å
79	L	87.4	Confident	92.2	Very high	15 Å²	15	56.6 Å²	56.6	8%	0.079	28%	0.277	C	S	.	.			trans	-114.2	108.9	-173.7	-166.5	75.1	0	0	0	110	L20 I42 I60 Q76 Q77 L81	L20-L79 HydrophobicContact CD1-CD2 4.27Å; I42-L79 HydrophobicContact CD1-CD2 4.06Å; I60-L79 HydrophobicContact CD1-CD2 4.5Å; Q76-L79 HydrophobicContact CB-CB 4.14Å; Q77-L79 VanDerWaalsContact C-N 3.28Å; Q77-L79 PolarHBondContact O-N 2.96Å; L79-L81 HydrophobicContact CD2-CD2 3.92Å; L79-L81 HydrophobicContact CG-CD2 4.3Å; L79-L81 PolarHBondContact O-N 3.24Å
80	D	90.7	Very high	92.3	Very high	70 Å²	70	56.6 Å²	56.6	37%	0.374	28%	0.277	S	S	.	.			trans	-72.8	119.1	172.3	-173.1	-7	0	0	0	109.2	R16 N46 D82 I83	R16-D80 WeakPolarHBondContact CD-O 3.41Å; R16-D80 PolarHBondContact NH1-O 3.27Å; N46-D80 HydrophobicContact CB-CB 4.33Å; N46-D80 PolarHBondContact OD1-N 3.31Å; D80-D82 PolarHBondContact OD1-N 3.24Å; D80-I83 HydrophobicContact CB-CD1 3.85Å; D80-I83 HydrophobicContact CB-CG1 4.06Å
81	L	90.6	Very high	92.4	Very high	34 Å²	34	55.2 Å²	55.2	18%	0.178	27%	0.27	C	S	.	.	S	Bend	trans	-87.3	-15.4	-175.6	-61.2	-178.8	0	0	0	112.8	R16 R17 L20 L79 I83	R16-L81 PolarHBondContact N-O 3.45Å; R17-L81 HydrophobicContact CB-CB 4.22Å; R17-L81 PolarHBondContact N-O 2.92Å; L20-L81 HydrophobicContact CD1-CD2 3.71Å; L79-L81 HydrophobicContact CD2-CD2 3.92Å; L79-L81 HydrophobicContact CG-CD2 4.3Å; L79-L81 PolarHBondContact O-N 3.24Å; L81-I83 VanDerWaalsContact C-N 3.34Å
82	D	92.3	Very high	92.6	Very high	100 Å²	100	50.8 Å²	50.8	54%	0.535	25%	0.249	S	C	.	.			trans	-92.2	3.2	-174.3	-62	-43.2	0	0	0	112.5	R17 D80 E84	R17-D82 IonicContact CZ-OD1 2.96Å; R17-D82 IonicContact NH1-OD1 3.22Å; R17-D82 PolarHBondContact NH1-OD1 3.4Å; R17-D82 IonicContact NH2-OD1 2.79Å; R17-D82 PolarHBondContact NH2-OD1 2.96Å; R17-D82 IonicContact NH2-OD2 2.74Å; D80-D82 PolarHBondContact OD1-N 3.24Å; D82-E84 PolarHBondContact O-N 2.74Å
83	I	92.8	Very high	92.7	Very high	12 Å²	12	48.5 Å²	48.5	6%	0.062	24%	0.238	C	C	.	.			trans	-67.1	124.5	174.5	-65.5	175.8	0	0	0	109.8	T15 R16 N46 D80 L81 V85	T15-I83 CarbonylContact C-O 3.51Å; T15-I83 WeakPolarHBondContact CA-O 3.37Å; R16-I83 PolarHBondContact N-O 2.95Å; N46-I83 VanDerWaalsContact CA-CD1 3.44Å; N46-I83 HydrophobicContact CB-CD1 4.15Å; D80-I83 HydrophobicContact CB-CD1 3.85Å; D80-I83 HydrophobicContact CB-CG1 4.06Å; L81-I83 VanDerWaalsContact C-N 3.34Å; I83-V85 HydrophobicContact CG2-CG2 4.15Å
84	E	94.2	Very high	92.8	Very high	117 Å²	117	48.3 Å²	48.3	55%	0.547	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	136.4	173.7	-167	172	110.7	0	0	110.6	P13 R14 D82	P13-E84 HydrophobicContact CB-CG 3.95Å; R14-E84 WeakPolarHBondContact O-CA 3.35Å; D82-E84 PolarHBondContact O-N 2.74Å
85	V	93.6	Very high	92.8	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.036	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	123.1	-177.3	-171.1	0	0	0	0	109.4	N9 R14 I19 W50 I83 V87 H88	N9-V85 PolarHBondContact ND2-O 3.28Å; N9-V85 VanDerWaalsContact ND2-O 3.12Å; R14-V85 PolarHBondContact N-O 3.03Å; R14-V85 VanDerWaalsContact N-O 3.1Å; R14-V85 PolarHBondContact O-N 2.92Å; I19-V85 HydrophobicContact CD1-CB 4.47Å; W50-V85 HydrophobicContact CB-CB 4.29Å; W50-V85 HydrophobicContact CB-CG1 3.95Å; W50-V85 HydrophobicContact CB-CG2 4.23Å; W50-V85 HydrophobicContact CD2-CG1 4.1Å; W50-V85 HydrophobicContact CE3-CG1 3.87Å; W50-V85 HydrophobicContact CG-CG1 4.14Å; I83-V85 HydrophobicContact CG2-CG2 4.15Å; V85-V87 VanDerWaalsContact CG1-O 3.22Å; V85-V87 WeakPolarHBondContact CG1-O 3.2Å; V85-H88 HydrophobicContact CB-CB 4.32Å; V85-H88 HydrophobicContact CG1-CB 3.71Å
86	D	93.4	Very high	92.5	Very high	50 Å²	50	39.1 Å²	39.1	27%	0.267	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-38.1	-179.3	-66.8	-21.2	0	0	0	112.6	H11 V12 P13 W50	H11-D86 WeakPolarHBondContact CA-O 3.49Å; H11-D86 PolarHBondContact N-O 2.91Å; V12-D86 PolarHBondContact N-O 3.25Å; P13-D86 WeakPolarHBondContact CG-OD1 3.32Å; W50-D86 HydrophobicContact CZ2-CB 4.05Å; W50-D86 PolarHBondContact NE1-OD2 3.01Å
87	V	96.1	Very high	92	Very high	12 Å²	12	38.3 Å²	38.3	7%	0.073	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	115.9	177.3	-177.5	0	0	0	0	109.7	N9 Y10 W50 V85	N9-V87 VanDerWaalsContact O-CA 3.28Å; N9-V87 WeakPolarHBondContact O-CA 3.34Å; Y10-V87 HydrophobicContact CD2-CB 4.35Å; Y10-V87 HydrophobicContact CD2-CG1 3.59Å; Y10-V87 HydrophobicContact CD2-CG2 3.8Å; Y10-V87 HydrophobicContact CE2-CG1 3.99Å; Y10-V87 HydrophobicContact CE2-CG2 3.95Å; Y10-V87 HydrophobicContact CG-CG2 4.39Å; W50-V87 HydrophobicContact CH2-CB 3.56Å; W50-V87 HydrophobicContact CH2-CG2 3.85Å; W50-V87 HydrophobicContact CZ2-CB 4.31Å; W50-V87 HydrophobicContact CZ2-CG2 4.27Å; W50-V87 HydrophobicContact CZ3-CB 3.74Å; W50-V87 WeakPolarHBondContact CZ3-O 3.5Å; V85-V87 VanDerWaalsContact CG1-O 3.22Å; V85-V87 WeakPolarHBondContact CG1-O 3.2Å
88	H	97.1	Very high	91.4	Very high	3 Å²	3	32.6 Å²	32.6	1%	0.014	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	147.6	178.5	-173.6	-89.4	0	0	0	111.2	L8 N9 I19 D43 V85 G90	L8-H88 VanDerWaalsContact CA-O 3.29Å; L8-H88 WeakPolarHBondContact CA-O 3.28Å; N9-H88 PolarHBondContact N-O 2.96Å; N9-H88 VanDerWaalsContact N-O 3.15Å; N9-H88 PolarHBondContact O-N 3.15Å; N9-H88 VanDerWaalsContact O-N 3.07Å; N9-H88 WeakPolarHBondContact OD1-CB 3.37Å; N9-H88 PolarHBondContact OD1-O 3.34Å; I19-H88 HydrophobicContact CD1-CB 3.87Å; D43-H88 PolarHBondContact N-NE2 3.44Å; D43-H88 VanDerWaalsContact N-NE2 3.19Å; D43-H88 IonicContact OD2-CD2 3.21Å; D43-H88 PolarHBondContact OD2-CD2 2.68Å; D43-H88 IonicContact OD2-CG 3.26Å; D43-H88 IonicContact OD2-NE2 3.71Å; V85-H88 HydrophobicContact CB-CB 4.32Å; V85-H88 HydrophobicContact CG1-CB 3.71Å; H88-G90 PolarHBondContact ND1-N 3.17Å
89	L	97.6	Very high	90.8	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	117.1	166	173.8	63.7	0	0	0	109.6	A6 L8 I91 K190 E197 A198	A6-L89 HydrophobicContact CB-CD1 4.3Å; L8-L89 HydrophobicContact CB-CD1 3.98Å; L8-L89 HydrophobicContact CD1-CD1 4.35Å; L8-L89 HydrophobicContact CG-CB 4.48Å; L8-L89 HydrophobicContact CG-CD1 4.37Å; L89-I91 HydrophobicContact CD1-CG2 4.16Å; L89-I91 HydrophobicContact CD2-CG2 4.32Å; L89-I91 HydrophobicContact CG-CG2 4.06Å; L89-K190 HydrophobicContact CB-CD 4.38Å; L89-K190 HydrophobicContact CD2-CB 3.8Å; L89-K190 HydrophobicContact CD2-CD 4.18Å; L89-K190 HydrophobicContact CD2-CG 3.95Å; L89-K190 HydrophobicContact CG-CD 4.18Å; L89-K190 HydrophobicContact CG-CG 4.48Å; L89-K190 WeakPolarHBondContact O-CD 3.29Å; L89-K190 VanDerWaalsContact O-CE 3.32Å; L89-K190 WeakPolarHBondContact O-CE 3.48Å; L89-K190 PolarHBondContact O-NZ 3.07Å; L89-E197 WeakPolarHBondContact CD2-O 3.3Å; L89-A198 HydrophobicContact CD1-CB 3.96Å; L89-A198 HydrophobicContact CD2-CB 3.68Å; L89-A198 HydrophobicContact CG-CB 4.46Å
90	G	97.7	Very high	90.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.4	168	0	0	0	0	0	110.8	A6 Y7 L23 H88	A6-G90 CarbonylContact C-O 3.42Å; A6-G90 WeakPolarHBondContact CA-O 3.45Å; A6-G90 WeakPolarHBondContact CB-O 3.43Å; Y7-G90 PolarHBondContact N-O 3.33Å; Y7-G90 PolarHBondContact O-N 2.99Å; L23-G90 WeakPolarHBondContact CD2-O 3.35Å; H88-G90 PolarHBondContact ND1-N 3.17Å
91	I	98.1	Very high	90.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	143.3	172.5	73.1	175.1	0	0	0	110.4	A6 V40 G41 L89 P109 I119 I121 V188 K190	A6-I91 HydrophobicContact CB-CB 4.29Å; A6-I91 HydrophobicContact CB-CG2 3.86Å; V40-I91 CarbonylContact C-O 3.58Å; V40-I91 WeakPolarHBondContact CA-O 3.44Å; G41-I91 PolarHBondContact N-O 3.02Å; G41-I91 PolarHBondContact O-N 2.7Å; L89-I91 HydrophobicContact CD1-CG2 4.16Å; L89-I91 HydrophobicContact CD2-CG2 4.32Å; L89-I91 HydrophobicContact CG-CG2 4.06Å; I91-P109 HydrophobicContact CD1-CB 4.15Å; I91-P109 HydrophobicContact CD1-CG 4.03Å; I91-P109 HydrophobicContact CG1-CG 3.9Å; I91-I119 HydrophobicContact CD1-CD1 3.49Å; I91-I119 VanDerWaalsContact CD1-CD1 3.49Å; I91-I119 HydrophobicContact CD1-CG1 3.7Å; I91-I119 HydrophobicContact CG1-CD1 3.84Å; I91-I121 HydrophobicContact CB-CD1 3.96Å; I91-I121 HydrophobicContact CD1-CG1 4.37Å; I91-I121 HydrophobicContact CD1-CG2 3.95Å; I91-I121 HydrophobicContact CG1-CG2 4.24Å; I91-V188 HydrophobicContact CG2-CG1 4.03Å; I91-K190 HydrophobicContact CD1-CB 4.27Å; I91-K190 HydrophobicContact CG2-CB 4.34Å
92	A	97.5	Very high	90.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	146.7	-173.1	0	0	0	0	0	111	F5 L23 L27 G39 V40 I121	F5-A92 PolarHBondContact N-O 3.22Å; F5-A92 WeakPolarHBondContact O-CA 3.41Å; F5-A92 PolarHBondContact O-N 2.85Å; L23-A92 HydrophobicContact CB-CB 4.06Å; L23-A92 HydrophobicContact CD2-CB 4.06Å; L23-A92 HydrophobicContact CG-CB 4.45Å; L27-A92 HydrophobicContact CD1-CB 3.96Å; L27-A92 HydrophobicContact CD2-CB 3.69Å; L27-A92 HydrophobicContact CG-CB 3.79Å; G39-A92 CarbonylContact O-C 3.45Å; G39-A92 WeakPolarHBondContact O-CA 3.32Å; V40-A92 HydrophobicContact CG1-CB 3.83Å; A92-I121 VanDerWaalsContact O-CD1 3.27Å; A92-I121 WeakPolarHBondContact O-CD1 3.32Å
93	H	97.1	Very high	90.1	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	141.3	-178.4	-169.5	-98.2	0	0	0	113.6	G3 A38 G39 H108 I121 H122 N123	G3-H93 CarbonylContact O-C 3.48Å; G3-H93 VanDerWaalsContact O-CA 3.25Å; G3-H93 WeakPolarHBondContact O-CA 3.49Å; G3-H93 PolarHBondContact O-CD2 3.24Å; A38-H93 CarbonylContact C-O 3.51Å; A38-H93 WeakPolarHBondContact CA-O 3.46Å; A38-H93 WeakPolarHBondContact CB-O 3.39Å; G39-H93 PolarHBondContact N-O 3.19Å; G39-H93 PolarHBondContact O-N 3.44Å; H93-H108 HydrophobicContact CB-CB 3.79Å; H93-H108 AromaticContact CD2-ND1 3.92Å; H93-H108 AromaticContact CE1-CE1 3.96Å; H93-H108 AromaticContact CE1-CG 3.9Å; H93-H108 AromaticContact CE1-ND1 3.26Å; H93-H108 PolarHBondContact CE1-ND1 2.64Å; H93-H108 VanDerWaalsContact CE1-ND1 3.26Å; H93-H108 AromaticContact CG-ND1 3.89Å; H93-H108 AromaticContact ND1-CG 3.68Å; H93-H108 AromaticContact ND1-ND1 3.49Å; H93-H108 PolarHBondContact ND1-ND1 2.91Å; H93-H108 AromaticContact NE2-ND1 3.52Å; H93-I121 HydrophobicContact CB-CB 4.14Å; H93-I121 HydrophobicContact CB-CG2 3.77Å; H93-H122 PolarHBondContact NE2-O 2.92Å; H93-N123 PolarHBondContact NE2-OD1 3.11Å
94	T	93.7	Very high	90.2	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132	162.2	50	0	0	0	0	110.1	C2 G3 L27 G34 A38 V66	C2-T94 CarbonylContact C-O 3.57Å; C2-T94 WeakPolarHBondContact CA-O 3.23Å; C2-T94 VanDerWaalsContact CB-O 3.27Å; C2-T94 WeakPolarHBondContact CB-O 3.36Å; G3-T94 WeakPolarHBondContact CA-OG1 3.28Å; G3-T94 PolarHBondContact N-O 2.91Å; G3-T94 PolarHBondContact N-OG1 2.97Å; G3-T94 PolarHBondContact O-N 3.16Å; L27-T94 HydrophobicContact CB-CG2 4.07Å; L27-T94 HydrophobicContact CD1-CG2 4.34Å; L27-T94 HydrophobicContact CD2-CG2 4.08Å; L27-T94 HydrophobicContact CG-CG2 4.39Å; G34-T94 VanDerWaalsContact O-CB 3.31Å; G34-T94 WeakPolarHBondContact O-CB 3.46Å; A38-T94 HydrophobicContact CB-CG2 4.04Å; V66-T94 HydrophobicContact CG2-CG2 3.58Å
95	R	88.9	Confident	90.2	Very high	5 Å²	5	27.6 Å²	27.6	2%	0.019	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.5	-171.4	-170.2	179.7	-171.6	-107.7	-3.4	111.8	D36 S37 H99 N106	D36-R95 WeakPolarHBondContact CB-O 3.22Å; D36-R95 PolarHBondContact N-O 3.18Å; D36-R95 VanDerWaalsContact N-O 3.12Å; S37-R95 PolarHBondContact O-N 3.25Å; R95-H99 PolarHBondContact NH2-O 3.39Å; R95-N106 WeakPolarHBondContact CD-O 3.41Å; R95-N106 PolarHBondContact NE-O 2.77Å
96	W	84.2	Confident	90.3	Very high	47 Å²	47	27.6 Å²	27.6	18%	0.178	17%	0.167	C	C	.	.			trans	-102.4	114	159.3	-176.1	-81.2	0	0	0	107.9	M1 C2 Y35 T98 N677 L678 A679	M1-W96 WeakPolarHBondContact O-CB 3.27Å; C2-W96 PolarHBondContact SG-N 3.42Å; Y35-W96 AromaticContact CE1-CZ3 3.9Å; Y35-W96 HydrophobicContact CE1-CZ3 3.9Å; W96-T98 PolarHBondContact O-N 3.09Å; W96-N677 WeakPolarHBondContact CZ2-O 3.45Å; W96-L678 VanDerWaalsContact CH2-CA 3.4Å; W96-L678 WeakPolarHBondContact CH2-O 3.46Å; W96-L678 WeakPolarHBondContact CZ3-O 3.49Å; W96-A679 HydrophobicContact CD2-CB 3.8Å; W96-A679 HydrophobicContact CE3-CB 3.52Å; W96-A679 HydrophobicContact CH2-CB 4.21Å; W96-A679 VanDerWaalsContact CH2-N 3.31Å; W96-A679 HydrophobicContact CZ2-CB 4.38Å; W96-A679 HydrophobicContact CZ3-CB 3.73Å
97	A	79	Confident	90.4	Very high	24 Å²	24	25.3 Å²	25.3	20%	0.198	16%	0.155	C	C	.	.			trans	-74.8	114.3	-170.7	0	0	0	0	0	111.6	D36 P102	D36-A97 PolarHBondContact OD2-N 3.03Å; A97-P102 HydrophobicContact CB-CG 3.83Å
98	T	69.8	Low	90.5	Very high	67 Å²	67	25 Å²	25	41%	0.411	15%	0.152	S	C	.	.	S	Bend	trans	-96.7	-42.8	169.4	54.3	0	0	0	0	111.8	W96 V684	W96-T98 PolarHBondContact O-N 3.09Å; T98-V684 HydrophobicContact CG2-CG2 4.07Å
99	H	74.6	Confident	90.5	Very high	56 Å²	56	24.8 Å²	24.8	26%	0.259	15%	0.152	S	C	.	.	S	Bend	trans	-118.6	132.7	176.7	-67.2	79.9	0	0	0	111	R95	R95-H99 PolarHBondContact NH2-O 3.39Å
100	G	78.4	Confident	90.5	Very high	27 Å²	27	24.8 Å²	24.8	28%	0.278	15%	0.151	S	C	.	.	S	Bend	trans	72.8	148	179.4	0	0	0	0	0	113.9	E146	G100-E146 WeakPolarHBondContact CA-OE2 3.48Å
101	V	87.4	Confident	90.6	Very high	98 Å²	98	27.7 Å²	27.7	59%	0.594	16%	0.162	S	C	*	.			trans	-63.8	145.5	-177	-65.6	0	0	0	0	112	S103 N106	V101-S103 PolarHBondContact O-N 3.33Å; V101-N106 PolarHBondContact N-ND2 3.05Å; V101-N106 PolarHBondContact O-ND2 2.9Å
102	P	89.4	Confident	90.5	Very high	35 Å²	35	27.8 Å²	27.8	23%	0.227	16%	0.163	C	C	.	.	S	Bend	trans	-56.8	109.9	171.3	-24.2	32.9	0	0	0	111.2	D36 R63 A97	D36-P102 HydrophobicContact CB-CB 4.1Å; D36-P102 HydrophobicContact CB-CG 3.99Å; R63-P102 VanDerWaalsContact CD-O 3.31Å; R63-P102 WeakPolarHBondContact CD-O 3.46Å; R63-P102 HydrophobicContact CG-CB 4.29Å; A97-P102 HydrophobicContact CB-CG 3.83Å
103	S	92.6	Very high	90.5	Very high	25 Å²	25	29.2 Å²	29.2	18%	0.175	17%	0.171	C	C	.	.	S	Bend	trans	-153.4	155.5	-178	73	0	0	0	0	109.8	V101 V105 N106 S107	V101-S103 PolarHBondContact O-N 3.33Å; S103-V105 PolarHBondContact O-N 3.45Å; S103-V105 VanDerWaalsContact O-N 3.14Å; S103-N106 PolarHBondContact O-N 3.31Å; S103-N106 PolarHBondContact OG-N 3.17Å; S103-N106 PolarHBondContact OG-ND2 3.48Å; S103-S107 PolarHBondContact O-N 3.32Å; S103-S107 PolarHBondContact O-OG 2.89Å
104	P	93.6	Very high	90.4	Very high	57 Å²	57	36.8 Å²	36.8	37%	0.37	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-33.1	176	-28.1	36.1	0	0	0	113.7	K61	K61-P104 HydrophobicContact CB-CB 4.44Å; K61-P104 WeakPolarHBondContact CE-O 3.29Å; K61-P104 PolarHBondContact NZ-O 2.85Å; K61-P104 VanDerWaalsContact NZ-O 3.1Å
105	V	95.6	Very high	90.5	Very high	66 Å²	66	42.7 Å²	42.7	40%	0.4	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-44.8	177.4	179.3	0	0	0	0	111.2	K61 S103 Q110 E144	K61-V105 PolarHBondContact NZ-O 3.26Å; S103-V105 PolarHBondContact O-N 3.45Å; S103-V105 VanDerWaalsContact O-N 3.14Å; V105-Q110 PolarHBondContact O-NE2 3.47Å; V105-Q110 VanDerWaalsContact O-NE2 3.13Å; V105-E144 HydrophobicContact CG1-CG 4.39Å; V105-E144 VanDerWaalsContact CG1-O 3.28Å; V105-E144 WeakPolarHBondContact CG1-O 3.16Å
106	N	95.1	Very high	90.9	Very high	6 Å²	6	43.3 Å²	43.3	3%	0.032	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-15.5	179.7	-68.3	-28.1	0	0	0	113.3	R95 V101 S103 Q110 S145 E146 T147	R95-N106 WeakPolarHBondContact CD-O 3.41Å; R95-N106 PolarHBondContact NE-O 2.77Å; V101-N106 PolarHBondContact N-ND2 3.05Å; V101-N106 PolarHBondContact O-ND2 2.9Å; S103-N106 PolarHBondContact O-N 3.31Å; S103-N106 PolarHBondContact OG-N 3.17Å; S103-N106 PolarHBondContact OG-ND2 3.48Å; N106-Q110 PolarHBondContact O-NE2 3.46Å; N106-S145 WeakPolarHBondContact OD1-CB 3.24Å; N106-E146 PolarHBondContact OD1-N 2.72Å; N106-E146 VanDerWaalsContact OD1-N 3.16Å; N106-T147 HydrophobicContact CB-CG2 3.75Å; N106-T147 WeakPolarHBondContact O-CG2 3.47Å
107	S	96	Very high	91.6	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.007	24%	0.24	C	C	.	.	S	Bend	trans	-63.9	148.8	172	-61.1	0	0	0	0	111.6	S37 K61 S103	S37-S107 WeakPolarHBondContact CB-OG 3.17Å; S37-S107 PolarHBondContact OG-OG 3.38Å; K61-S107 VanDerWaalsContact CD-O 3.29Å; K61-S107 WeakPolarHBondContact CD-O 3.43Å; K61-S107 PolarHBondContact NZ-O 2.91Å; S103-S107 PolarHBondContact O-N 3.32Å; S103-S107 PolarHBondContact O-OG 2.89Å
108	H	96.3	Very high	92.5	Very high	5 Å²	5	42 Å²	42	2%	0.023	23%	0.231	C	C	.	.	S	Bend	trans	-87.9	156.2	171.3	-57.6	175.8	0	0	0	110.1	G39 H93 I121 H122 T149	G39-H108 WeakPolarHBondContact CA-O 3.4Å; H93-H108 HydrophobicContact CB-CB 3.79Å; H93-H108 AromaticContact CD2-ND1 3.92Å; H93-H108 AromaticContact CE1-CE1 3.96Å; H93-H108 AromaticContact CE1-CG 3.9Å; H93-H108 AromaticContact CE1-ND1 3.26Å; H93-H108 PolarHBondContact CE1-ND1 2.64Å; H93-H108 VanDerWaalsContact CE1-ND1 3.26Å; H93-H108 AromaticContact CG-ND1 3.89Å; H93-H108 AromaticContact ND1-CG 3.68Å; H93-H108 AromaticContact ND1-ND1 3.49Å; H93-H108 PolarHBondContact ND1-ND1 2.91Å; H93-H108 AromaticContact NE2-ND1 3.52Å; H108-I121 HydrophobicContact CB-CG2 4.12Å; H108-H122 PolarHBondContact CE1-O 3.17Å; H108-H122 VanDerWaalsContact CE1-O 3.25Å; H108-H122 PolarHBondContact ND1-N 3.19Å; H108-H122 PolarHBondContact ND1-O 2.89Å; H108-T149 PolarHBondContact CE1-OG1 3.31Å; H108-T149 VanDerWaalsContact CE1-OG1 3.24Å; H108-T149 WeakPolarHBondContact NE2-CB 3.4Å; H108-T149 PolarHBondContact NE2-OG1 3.24Å
109	P	98.1	Very high	93.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.211	C	C	.	.	S	Bend	cis	-65.9	142.9	1.4	-20.2	32.9	0	0	0	114.8	L59 K61 I91 I119 V120 I121	L59-P109 HydrophobicContact CD2-CB 3.96Å; L59-P109 HydrophobicContact CD2-CG 3.96Å; K61-P109 WeakPolarHBondContact CD-O 3.03Å; K61-P109 PolarHBondContact NZ-O 3.11Å; I91-P109 HydrophobicContact CD1-CB 4.15Å; I91-P109 HydrophobicContact CD1-CG 4.03Å; I91-P109 HydrophobicContact CG1-CG 3.9Å; P109-I119 HydrophobicContact CB-CB 4.15Å; P109-I119 HydrophobicContact CB-CD1 4.19Å; P109-I119 HydrophobicContact CG-CD1 4.37Å; P109-V120 WeakPolarHBondContact CA-O 3.49Å; P109-I121 HydrophobicContact CB-CG2 3.86Å; P109-I121 HydrophobicContact CG-CG2 3.68Å
110	Q	98.2	Very high	95	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	147.7	167.6	-72.2	-61.7	-10.6	0	0	110	V105 N106 I119 V120 T147 T149 E150 A153	V105-Q110 PolarHBondContact O-NE2 3.47Å; V105-Q110 VanDerWaalsContact O-NE2 3.13Å; N106-Q110 PolarHBondContact O-NE2 3.46Å; Q110-I119 CarbonylContact O-C 3.43Å; Q110-I119 VanDerWaalsContact O-CA 3.22Å; Q110-I119 WeakPolarHBondContact O-CA 3.47Å; Q110-V120 HydrophobicContact CB-CG1 4.35Å; Q110-V120 PolarHBondContact N-O 2.93Å; Q110-V120 PolarHBondContact O-N 3.2Å; Q110-T147 PolarHBondContact NE2-OG1 2.65Å; Q110-T149 HydrophobicContact CB-CG2 4.02Å; Q110-T149 HydrophobicContact CG-CG2 3.71Å; Q110-E150 HydrophobicContact CG-CB 4.42Å; Q110-A153 HydrophobicContact CB-CB 4.46Å
111	R	98.2	Very high	95.9	Very high	62 Å²	62	34.9 Å²	34.9	23%	0.234	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	151.6	-172.5	60.5	-178.5	177.2	170.8	2.3	113.2	L59 D113 N116 F118 I119 E144 K154	L59-R111 HydrophobicContact CD1-CB 4.13Å; L59-R111 HydrophobicContact CD1-CG 4.49Å; R111-D113 VanDerWaalsContact CD-O 3.29Å; R111-D113 WeakPolarHBondContact CD-O 3.47Å; R111-N116 WeakPolarHBondContact CD-OD1 3.2Å; R111-N116 PolarHBondContact NH1-OD1 3.32Å; R111-F118 CarbonylContact C-O 3.53Å; R111-F118 WeakPolarHBondContact CA-O 3.35Å; R111-I119 HydrophobicContact CB-CG2 4.07Å; R111-E144 WeakPolarHBondContact CG-OE1 3.12Å; R111-E144 IonicContact CZ-OE1 2.65Å; R111-E144 IonicContact CZ-OE2 2.75Å; R111-E144 IonicContact NE-OE1 3.87Å; R111-E144 PolarHBondContact NE-OE1 3.09Å; R111-E144 IonicContact NE-OE2 3.75Å; R111-E144 PolarHBondContact NE-OE2 3.13Å; R111-E144 IonicContact NH2-OE1 3.76Å; R111-E144 PolarHBondContact NH2-OE1 3.07Å; R111-E144 IonicContact NH2-OE2 2.92Å; R111-E144 PolarHBondContact NH2-OE2 3.42Å; R111-K154 PolarHBondContact O-NZ 3.28Å
112	S	97.6	Very high	96.3	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.014	16%	0.157	C	C	.	.	S	Bend	trans	-75.1	-30.6	178.4	57.5	0	0	0	0	114.2	F118 A153 K154	S112-F118 PolarHBondContact N-O 3.1Å; S112-F118 PolarHBondContact OG-N 2.98Å; S112-F118 PolarHBondContact OG-O 3.22Å; S112-A153 VanDerWaalsContact CB-O 3.26Å; S112-A153 WeakPolarHBondContact CB-O 3.42Å; S112-K154 WeakPolarHBondContact O-CD 3.42Å; S112-K154 WeakPolarHBondContact O-CE 3.47Å; S112-K154 PolarHBondContact O-NZ 3.04Å
113	D	96.9	Very high	96.5	Very high	30 Å²	30	29 Å²	29	16%	0.16	15%	0.148	C	C	.	.	S	Bend	trans	-161.8	-179.7	-173.5	52.9	59.4	0	0	0	109.6	R111 N115 N116 E117 K157	R111-D113 VanDerWaalsContact CD-O 3.29Å; R111-D113 WeakPolarHBondContact CD-O 3.47Å; D113-N115 PolarHBondContact O-N 3.41Å; D113-N115 VanDerWaalsContact OD1-C 3.29Å; D113-N115 VanDerWaalsContact OD1-CA 3.3Å; D113-N115 WeakPolarHBondContact OD1-CA 3.47Å; D113-N115 WeakPolarHBondContact OD1-CB 3.4Å; D113-N115 PolarHBondContact OD1-N 2.88Å; D113-N116 PolarHBondContact O-N 3.36Å; D113-N116 PolarHBondContact OD1-N 3.16Å; D113-E117 PolarHBondContact OD1-N 3.4Å; D113-E117 VanDerWaalsContact OD2-CB 3.3Å; D113-E117 WeakPolarHBondContact OD2-CB 3.39Å; D113-E117 VanDerWaalsContact OD2-CG 3.31Å; D113-E117 WeakPolarHBondContact OD2-CG 3.26Å; D113-K157 HydrophobicContact CB-CD 4.44Å; D113-K157 VanDerWaalsContact OD2-CD 3.26Å; D113-K157 WeakPolarHBondContact OD2-CD 3.25Å; D113-K157 WeakPolarHBondContact OD2-CE 3.49Å
114	K	95.8	Very high	96.4	Very high	160 Å²	160	28.7 Å²	28.7	70%	0.696	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-20.5	-179.3	-65.2	-178	-179.6	173.3	0	113.7
115	N	95.4	Very high	96.3	Very high	124 Å²	124	27.2 Å²	27.2	66%	0.663	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94	-3.1	-179.2	-62.5	-26.4	0	0	0	112.8	D113	D113-N115 PolarHBondContact O-N 3.41Å; D113-N115 VanDerWaalsContact OD1-C 3.29Å; D113-N115 VanDerWaalsContact OD1-CA 3.3Å; D113-N115 WeakPolarHBondContact OD1-CA 3.47Å; D113-N115 WeakPolarHBondContact OD1-CB 3.4Å; D113-N115 PolarHBondContact OD1-N 2.88Å
116	N	97.1	Very high	96.2	Very high	17 Å²	17	24.1 Å²	24.1	9%	0.091	12%	0.119	C	C	.	.			trans	61.8	39.5	179.8	-47.7	-36.2	0	0	0	113.1	I57 R111 D113 F118 I119	I57-N116 HydrophobicContact CB-CB 3.95Å; I57-N116 HydrophobicContact CG2-CB 3.98Å; I57-N116 PolarHBondContact O-ND2 3.2Å; R111-N116 WeakPolarHBondContact CD-OD1 3.2Å; R111-N116 PolarHBondContact NH1-OD1 3.32Å; D113-N116 PolarHBondContact O-N 3.36Å; D113-N116 PolarHBondContact OD1-N 3.16Å; N116-F118 VanDerWaalsContact C-N 3.26Å; N116-F118 PolarHBondContact O-N 3.45Å; N116-I119 HydrophobicContact CB-CG2 4.06Å
117	E	97.5	Very high	96.1	Very high	44 Å²	44	28.1 Å²	28.1	21%	0.206	14%	0.144	C	C	.	.	S	Bend	trans	-57.8	-39.3	-178.2	-67.4	-178.2	-156.4	0	0	113.1	D113 K157 S191 V192 H193	D113-E117 PolarHBondContact OD1-N 3.4Å; D113-E117 VanDerWaalsContact OD2-CB 3.3Å; D113-E117 WeakPolarHBondContact OD2-CB 3.39Å; D113-E117 VanDerWaalsContact OD2-CG 3.31Å; D113-E117 WeakPolarHBondContact OD2-CG 3.26Å; E117-K157 IonicContact OE1-NZ 3.22Å; E117-K157 VanDerWaalsContact OE2-CE 3.31Å; E117-K157 WeakPolarHBondContact OE2-CE 3.47Å; E117-K157 IonicContact OE2-NZ 3.62Å; E117-S191 VanDerWaalsContact O-CA 3.23Å; E117-S191 WeakPolarHBondContact O-CA 3.37Å; E117-S191 WeakPolarHBondContact O-CB 3.24Å; E117-S191 PolarHBondContact O-OG 3.16Å; E117-V192 HydrophobicContact CB-CG2 4.25Å; E117-V192 HydrophobicContact CG-CG2 4.39Å; E117-V192 PolarHBondContact O-N 3.48Å; E117-V192 VanDerWaalsContact O-N 3.12Å; E117-H193 IonicContact OE2-CE1 2.97Å; E117-H193 IonicContact OE2-NE2 3.76Å; E117-H193 PolarHBondContact OE2-NE2 2.93Å
118	F	98.3	Very high	96.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.6	170.7	-63.3	-95.5	0	0	0	109.9	R111 S112 N116 V156 K157 Y160 F170 L173 S191 H193 Y194	R111-F118 CarbonylContact C-O 3.53Å; R111-F118 WeakPolarHBondContact CA-O 3.35Å; S112-F118 PolarHBondContact N-O 3.1Å; S112-F118 PolarHBondContact OG-N 2.98Å; S112-F118 PolarHBondContact OG-O 3.22Å; N116-F118 VanDerWaalsContact C-N 3.26Å; N116-F118 PolarHBondContact O-N 3.45Å; F118-V156 HydrophobicContact CB-CG1 3.68Å; F118-V156 HydrophobicContact CD1-CG1 3.94Å; F118-V156 HydrophobicContact CD1-CG2 3.91Å; F118-V156 HydrophobicContact CE1-CG2 4.07Å; F118-V156 HydrophobicContact CG-CG1 3.81Å; F118-K157 HydrophobicContact CD2-CB 4.02Å; F118-K157 HydrophobicContact CD2-CG 4.23Å; F118-K157 HydrophobicContact CE2-CB 4.4Å; F118-K157 HydrophobicContact CE2-CG 4.37Å; F118-Y160 HydrophobicContact CE2-CD1 4.13Å; F118-Y160 AromaticContact CE2-CG 3.93Å; F118-Y160 HydrophobicContact CE2-CG 3.93Å; F118-Y160 HydrophobicContact CZ-CD1 4.29Å; F118-Y160 AromaticContact CZ-CD2 3.87Å; F118-Y160 HydrophobicContact CZ-CD2 3.87Å; F118-Y160 AromaticContact CZ-CG 3.7Å; F118-Y160 HydrophobicContact CZ-CG 3.7Å; F118-F170 HydrophobicContact CD1-CE2 4.13Å; F118-F170 HydrophobicContact CD1-CZ 4.45Å; F118-F170 AromaticContact CE1-CE2 3.95Å; F118-F170 HydrophobicContact CE1-CE2 3.95Å; F118-L173 HydrophobicContact CE1-CD1 4.49Å; F118-S191 VanDerWaalsContact CD1-CB 3.49Å; F118-S191 WeakPolarHBondContact CD1-OG 3.1Å; F118-S191 VanDerWaalsContact CE1-OG 3.25Å; F118-S191 WeakPolarHBondContact CE1-OG 3.26Å; F118-H193 AromaticContact CE2-CD2 3.54Å; F118-H193 AromaticContact CZ-CD2 3.63Å; F118-Y194 HydrophobicContact CE1-CD2 4.42Å; F118-Y194 HydrophobicContact CE1-CE2 4.28Å; F118-Y194 HydrophobicContact CZ-CE2 4.44Å
119	I	98.5	Very high	96.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	148.2	171.5	65.8	165.4	0	0	0	110.6	I57 L59 I91 P109 Q110 R111 N116 K190	I57-I119 HydrophobicContact CD1-CG1 4.36Å; I57-I119 HydrophobicContact CG2-CD1 3.77Å; I57-I119 HydrophobicContact CG2-CG1 4.43Å; I57-I119 HydrophobicContact CG2-CG2 4.13Å; L59-I119 HydrophobicContact CD1-CG2 4.3Å; L59-I119 HydrophobicContact CD2-CD1 3.83Å; L59-I119 HydrophobicContact CD2-CG2 4.16Å; I91-I119 HydrophobicContact CD1-CD1 3.49Å; I91-I119 VanDerWaalsContact CD1-CD1 3.49Å; I91-I119 HydrophobicContact CD1-CG1 3.7Å; I91-I119 HydrophobicContact CG1-CD1 3.84Å; P109-I119 HydrophobicContact CB-CB 4.15Å; P109-I119 HydrophobicContact CB-CD1 4.19Å; P109-I119 HydrophobicContact CG-CD1 4.37Å; Q110-I119 CarbonylContact O-C 3.43Å; Q110-I119 VanDerWaalsContact O-CA 3.22Å; Q110-I119 WeakPolarHBondContact O-CA 3.47Å; R111-I119 HydrophobicContact CB-CG2 4.07Å; N116-I119 HydrophobicContact CB-CG2 4.06Å; I119-K190 HydrophobicContact CD1-CB 4.26Å; I119-K190 HydrophobicContact CD1-CD 4.22Å; I119-K190 HydrophobicContact CG1-CB 3.81Å; I119-K190 HydrophobicContact CG1-CG 4.33Å; I119-K190 PolarHBondContact N-O 3.23Å; I119-K190 PolarHBondContact O-N 3.44Å
120	V	98.4	Very high	95.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	144	-178.5	69.6	0	0	0	0	111.2	P109 Q110 T149 I152 A153 L187 V188 F189	P109-V120 WeakPolarHBondContact CA-O 3.49Å; Q110-V120 HydrophobicContact CB-CG1 4.35Å; Q110-V120 PolarHBondContact N-O 2.93Å; Q110-V120 PolarHBondContact O-N 3.2Å; V120-T149 HydrophobicContact CG1-CG2 4.18Å; V120-I152 HydrophobicContact CG1-CB 4.34Å; V120-I152 HydrophobicContact CG1-CG2 4.41Å; V120-I152 HydrophobicContact CG2-CG2 4.33Å; V120-A153 HydrophobicContact CG1-CB 3.9Å; V120-L187 HydrophobicContact CG2-CB 4.38Å; V120-L187 HydrophobicContact CG2-CD2 4.1Å; V120-V188 WeakPolarHBondContact CA-O 3.38Å; V120-F189 HydrophobicContact CB-CD1 3.87Å; V120-F189 HydrophobicContact CB-CE1 3.92Å; V120-F189 HydrophobicContact CG2-CD1 3.7Å; V120-F189 HydrophobicContact CG2-CD2 4.27Å; V120-F189 HydrophobicContact CG2-CE1 3.55Å; V120-F189 HydrophobicContact CG2-CE2 4.13Å; V120-F189 HydrophobicContact CG2-CG 4.07Å; V120-F189 HydrophobicContact CG2-CZ 3.79Å
121	I	97.8	Very high	95.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	139	166.7	55.6	176	0	0	0	109.2	I4 I91 A92 H93 H108 P109 L187 V188	I4-I121 HydrophobicContact CB-CD1 4.17Å; I4-I121 HydrophobicContact CG1-CB 4.41Å; I4-I121 HydrophobicContact CG1-CD1 4.04Å; I4-I121 HydrophobicContact CG1-CG1 4.13Å; I4-I121 HydrophobicContact CG2-CD1 3.64Å; I4-I121 HydrophobicContact CG2-CG1 4.31Å; I91-I121 HydrophobicContact CB-CD1 3.96Å; I91-I121 HydrophobicContact CD1-CG1 4.37Å; I91-I121 HydrophobicContact CD1-CG2 3.95Å; I91-I121 HydrophobicContact CG1-CG2 4.24Å; A92-I121 VanDerWaalsContact O-CD1 3.27Å; A92-I121 WeakPolarHBondContact O-CD1 3.32Å; H93-I121 HydrophobicContact CB-CB 4.14Å; H93-I121 HydrophobicContact CB-CG2 3.77Å; H108-I121 HydrophobicContact CB-CG2 4.12Å; P109-I121 HydrophobicContact CB-CG2 3.86Å; P109-I121 HydrophobicContact CG-CG2 3.68Å; I121-L187 WeakPolarHBondContact O-CA 3.43Å; I121-V188 HydrophobicContact CD1-CB 4.07Å; I121-V188 HydrophobicContact CG1-CB 3.81Å; I121-V188 PolarHBondContact N-O 3.38Å; I121-V188 VanDerWaalsContact N-O 3.13Å; I121-V188 PolarHBondContact O-N 3.28Å
122	H	96.3	Very high	95.8	Very high	2 Å²	2	40 Å²	40	1%	0.009	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	135.6	-169.4	170.7	-132.5	0	0	0	112.4	H93 H108 G124 D148 T149 I152 F185 A186 L187	H93-H122 PolarHBondContact NE2-O 2.92Å; H108-H122 PolarHBondContact CE1-O 3.17Å; H108-H122 VanDerWaalsContact CE1-O 3.25Å; H108-H122 PolarHBondContact ND1-N 3.19Å; H108-H122 PolarHBondContact ND1-O 2.89Å; H122-G124 PolarHBondContact CE1-O 3.43Å; H122-G124 VanDerWaalsContact CE1-O 3.29Å; H122-D148 IonicContact CE1-OD2 3.55Å; H122-T149 HydrophobicContact CB-CG2 3.44Å; H122-T149 VanDerWaalsContact CB-CG2 3.44Å; H122-T149 PolarHBondContact ND1-OG1 3.33Å; H122-I152 HydrophobicContact CB-CD1 4.43Å; H122-F185 WeakPolarHBondContact NE2-CB 3.44Å; H122-A186 WeakPolarHBondContact CA-O 3.23Å; H122-L187 HydrophobicContact CB-CD2 3.55Å; H122-L187 WeakPolarHBondContact CD2-CD2 3.45Å
123	N	93.3	Very high	95.8	Very high	7 Å²	7	42.6 Å²	42.6	4%	0.037	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.3	164.4	-72.9	1.2	0	0	0	109.6	C2 I4 H93 F185 A186 S262	C2-N123 HydrophobicContact CB-CB 4.42Å; C2-N123 WeakPolarHBondContact CB-OD1 3.39Å; C2-N123 PolarHBondContact O-ND2 2.86Å; I4-N123 HydrophobicContact CD1-CB 3.99Å; H93-N123 PolarHBondContact NE2-OD1 3.11Å; N123-F185 CarbonylContact O-C 3.49Å; N123-F185 VanDerWaalsContact O-CA 3.22Å; N123-F185 WeakPolarHBondContact O-CA 3.46Å; N123-A186 HydrophobicContact CB-CB 4.38Å; N123-A186 PolarHBondContact N-O 3.39Å; N123-A186 PolarHBondContact O-N 3.01Å; N123-S262 WeakPolarHBondContact ND2-CB 3.41Å; N123-S262 PolarHBondContact ND2-OG 3.02Å
124	G	90.5	Very high	95.8	Very high	19 Å²	19	47.9 Å²	47.9	20%	0.196	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	133	-162.7	-177.9	0	0	0	0	0	111.5	H122 A184	H122-G124 PolarHBondContact CE1-O 3.43Å; H122-G124 VanDerWaalsContact CE1-O 3.29Å; G124-A184 CarbonylContact C-O 3.57Å; G124-A184 WeakPolarHBondContact CA-O 3.24Å
125	I	91.6	Very high	95.9	Very high	27 Å²	27	44 Å²	44	14%	0.138	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	127.4	176.2	-63	180	0	0	0	108.5	T127 D148 A184 V684 E685	I125-T127 PolarHBondContact O-N 3.29Å; I125-D148 WeakPolarHBondContact CA-OD2 3.06Å; I125-A184 PolarHBondContact N-O 3.48Å; I125-A184 PolarHBondContact O-N 3.23Å; I125-V684 HydrophobicContact CD1-CB 3.71Å; I125-V684 HydrophobicContact CD1-CG1 4.32Å; I125-V684 HydrophobicContact CD1-CG2 4.07Å; I125-V684 HydrophobicContact CG1-CB 4.02Å; I125-V684 HydrophobicContact CG1-CG1 4.07Å; I125-V684 HydrophobicContact CG1-CG2 4.42Å; I125-E685 WeakPolarHBondContact CD1-O 3.04Å
126	I	94.4	Very high	96	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	102.8	169	-52.4	-53.1	0	0	0	108.8	N128 Y129 L132 D148 I152 L181 E182 F185	I126-N128 VanDerWaalsContact C-N 3.33Å; I126-N128 VanDerWaalsContact CG2-OD1 3.31Å; I126-N128 WeakPolarHBondContact CG2-OD1 3.32Å; I126-N128 PolarHBondContact O-N 2.85Å; I126-Y129 WeakPolarHBondContact O-CB 3.38Å; I126-Y129 VanDerWaalsContact O-CD1 3.3Å; I126-Y129 WeakPolarHBondContact O-CD1 3.49Å; I126-Y129 PolarHBondContact O-N 3.01Å; I126-L132 HydrophobicContact CG2-CD1 4.16Å; I126-D148 HydrophobicContact CB-CB 4.27Å; I126-D148 PolarHBondContact N-OD2 3.12Å; I126-I152 HydrophobicContact CD1-CD1 3.91Å; I126-I152 HydrophobicContact CG1-CD1 3.75Å; I126-I152 HydrophobicContact CG1-CG1 4.08Å; I126-L181 HydrophobicContact CD1-CB 4.4Å; I126-L181 HydrophobicContact CD1-CD1 4.16Å; I126-L181 HydrophobicContact CG2-CD2 4.14Å; I126-E182 CarbonylContact C-O 3.57Å; I126-E182 WeakPolarHBondContact CA-O 3.4Å; I126-F185 HydrophobicContact CD1-CB 3.97Å; I126-F185 HydrophobicContact CD1-CD1 3.8Å; I126-F185 HydrophobicContact CD1-CG 4.23Å
127	T	92.4	Very high	96	Very high	90 Å²	90	41.7 Å²	41.7	55%	0.552	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-32.1	-173.4	53.9	0	0	0	0	113.2	I125 E182 G183	I125-T127 PolarHBondContact O-N 3.29Å; T127-E182 PolarHBondContact N-O 2.91Å; T127-E182 WeakPolarHBondContact OG1-CB 3.32Å; T127-E182 PolarHBondContact OG1-O 3.28Å; T127-G183 PolarHBondContact OG1-N 2.9Å
128	N	96.1	Very high	96	Very high	18 Å²	18	43.8 Å²	43.8	10%	0.096	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	18.8	179.7	70.8	-25.3	0	0	0	114.1	I126 K130 D131 L132 Q180 E182	I126-N128 VanDerWaalsContact C-N 3.33Å; I126-N128 VanDerWaalsContact CG2-OD1 3.31Å; I126-N128 WeakPolarHBondContact CG2-OD1 3.32Å; I126-N128 PolarHBondContact O-N 2.85Å; N128-K130 PolarHBondContact O-N 2.85Å; N128-K130 VanDerWaalsContact O-N 3.14Å; N128-D131 PolarHBondContact O-N 3.24Å; N128-D131 VanDerWaalsContact O-N 3.14Å; N128-L132 PolarHBondContact O-N 3.27Å; N128-Q180 PolarHBondContact ND2-O 3.45Å; N128-E182 HydrophobicContact CB-CB 4.03Å; N128-E182 HydrophobicContact CB-CG 4.31Å; N128-E182 PolarHBondContact OD1-N 3.41Å
129	Y	95.8	Very high	95.9	Very high	47 Å²	47	49.1 Å²	49.1	18%	0.184	25%	0.246	C	C	.	.	H	α-helix	trans	-59.4	-29.6	-175.2	82.8	-79.8	0	0	0	113.7	I126 D131 L132 K133 D148	I126-Y129 WeakPolarHBondContact O-CB 3.38Å; I126-Y129 VanDerWaalsContact O-CD1 3.3Å; I126-Y129 WeakPolarHBondContact O-CD1 3.49Å; I126-Y129 PolarHBondContact O-N 3.01Å; Y129-D131 VanDerWaalsContact C-N 3.34Å; Y129-D131 PolarHBondContact O-N 3.27Å; Y129-L132 PolarHBondContact O-N 2.83Å; Y129-K133 WeakPolarHBondContact O-CB 3.5Å; Y129-K133 PolarHBondContact O-N 3.24Å; Y129-D148 HydrophobicContact CD1-CB 4.13Å; Y129-D148 HydrophobicContact CD2-CB 4.14Å; Y129-D148 HydrophobicContact CG-CB 3.75Å
130	K	94.4	Very high	95.8	Very high	130 Å²	130	52.2 Å²	52.2	57%	0.565	28%	0.278	S	S	*	.	H	α-helix	trans	-64.8	-39.2	179.2	-68.5	-178	-178.9	171.6	0	112.1	N128 K134	N128-K130 PolarHBondContact O-N 2.85Å; N128-K130 VanDerWaalsContact O-N 3.14Å; K130-K134 WeakPolarHBondContact O-CG 3.48Å; K130-K134 PolarHBondContact O-N 3.14Å
131	D	96.7	Very high	95.7	Very high	110 Å²	110	53.9 Å²	53.9	59%	0.588	28%	0.284	S	S	*	.	H	α-helix	trans	-73.6	-42.4	179.4	-61.8	-40.4	0	0	0	110.5	N128 Y129 K133 K134 F135	N128-D131 PolarHBondContact O-N 3.24Å; N128-D131 VanDerWaalsContact O-N 3.14Å; Y129-D131 VanDerWaalsContact C-N 3.34Å; Y129-D131 PolarHBondContact O-N 3.27Å; D131-K133 VanDerWaalsContact C-N 3.35Å; D131-K133 PolarHBondContact O-N 2.92Å; D131-K134 PolarHBondContact O-N 3.07Å; D131-F135 WeakPolarHBondContact O-CB 3.43Å; D131-F135 PolarHBondContact O-N 3.39Å
132	L	97.2	Very high	95.6	Very high	14 Å²	14	61.2 Å²	61.2	7%	0.073	32%	0.319	C	S	.	.	H	α-helix	trans	-60.2	-43.7	173.7	-66.1	175.3	0	0	0	111.9	I126 N128 Y129 F135 L136 T151 L155 Q180 L181	I126-L132 HydrophobicContact CG2-CD1 4.16Å; N128-L132 PolarHBondContact O-N 3.27Å; Y129-L132 PolarHBondContact O-N 2.83Å; L132-F135 PolarHBondContact O-N 3.06Å; L132-L136 WeakPolarHBondContact O-CB 3.4Å; L132-L136 WeakPolarHBondContact O-CD1 3.46Å; L132-L136 VanDerWaalsContact O-CG 3.29Å; L132-L136 WeakPolarHBondContact O-CG 3.39Å; L132-L136 PolarHBondContact O-N 2.85Å; L132-T151 HydrophobicContact CB-CG2 4.48Å; L132-L155 HydrophobicContact CD2-CD2 4.21Å; L132-Q180 HydrophobicContact CD2-CB 4.27Å; L132-L181 HydrophobicContact CD1-CD2 3.65Å
133	K	96.9	Very high	95.6	Very high	55 Å²	55	63 Å²	63	24%	0.239	33%	0.326	C	S	.	.	H	α-helix	trans	-59.7	-51.5	178	-178	165.1	-177.7	168.7	0	111.4	Y129 D131 F135 L136 E137 F143 T151	Y129-K133 WeakPolarHBondContact O-CB 3.5Å; Y129-K133 PolarHBondContact O-N 3.24Å; D131-K133 VanDerWaalsContact C-N 3.35Å; D131-K133 PolarHBondContact O-N 2.92Å; K133-F135 VanDerWaalsContact C-N 3.31Å; K133-F135 PolarHBondContact O-N 2.96Å; K133-L136 PolarHBondContact O-N 3.38Å; K133-E137 WeakPolarHBondContact CE-OE1 3.24Å; K133-E137 HydrophobicContact CG-CG 4.38Å; K133-E137 WeakPolarHBondContact O-CB 3.38Å; K133-E137 VanDerWaalsContact O-CG 3.31Å; K133-E137 WeakPolarHBondContact O-CG 3.32Å; K133-E137 PolarHBondContact O-N 3.3Å; K133-F143 HydrophobicContact CB-CE1 4.48Å; K133-F143 HydrophobicContact CB-CE2 4.47Å; K133-F143 HydrophobicContact CB-CZ 4.17Å; K133-F143 HydrophobicContact CD-CD1 4.19Å; K133-F143 HydrophobicContact CD-CD2 4.48Å; K133-F143 HydrophobicContact CD-CE1 4.38Å; K133-F143 HydrophobicContact CD-CG 4.25Å; K133-F143 HydrophobicContact CG-CD1 4.27Å; K133-F143 HydrophobicContact CG-CD2 3.98Å; K133-F143 HydrophobicContact CG-CE1 4.11Å; K133-F143 HydrophobicContact CG-CE2 3.81Å; K133-F143 HydrophobicContact CG-CG 4.23Å; K133-F143 HydrophobicContact CG-CZ 3.87Å; K133-T151 HydrophobicContact CB-CG2 3.98Å
134	K	97	Very high	95.8	Very high	141 Å²	141	66.3 Å²	66.3	61%	0.613	34%	0.342	S	S	*	.	H	α-helix	trans	-59.1	-41.7	176.8	-74.6	178.2	179.6	175.2	0	112.5	K130 D131 S138	K130-K134 WeakPolarHBondContact O-CG 3.48Å; K130-K134 PolarHBondContact O-N 3.14Å; D131-K134 PolarHBondContact O-N 3.07Å; K134-S138 PolarHBondContact O-N 3.32Å
135	F	97.9	Very high	96	Very high	78 Å²	78	65.7 Å²	65.7	34%	0.342	34%	0.335	S	S	.	.	H	α-helix	trans	-60.7	-49.4	176.6	171.4	-100.4	0	0	0	111.3	D131 L132 K133 S138 K139 Y158	D131-F135 WeakPolarHBondContact O-CB 3.43Å; D131-F135 PolarHBondContact O-N 3.39Å; L132-F135 PolarHBondContact O-N 3.06Å; K133-F135 VanDerWaalsContact C-N 3.31Å; K133-F135 PolarHBondContact O-N 2.96Å; F135-S138 WeakPolarHBondContact O-CB 3.28Å; F135-S138 PolarHBondContact O-N 2.8Å; F135-S138 PolarHBondContact O-OG 3.31Å; F135-K139 HydrophobicContact CE1-CG 4.4Å; F135-K139 HydrophobicContact CE2-CG 4.49Å; F135-K139 HydrophobicContact CZ-CG 4.24Å; F135-K139 WeakPolarHBondContact O-CG 3.34Å; F135-K139 PolarHBondContact O-N 2.98Å; F135-Y158 HydrophobicContact CE1-CD1 4.2Å; F135-Y158 AromaticContact CE1-CE1 3.85Å; F135-Y158 HydrophobicContact CE1-CE1 3.85Å; F135-Y158 HydrophobicContact CE1-CE2 4.28Å; F135-Y158 AromaticContact CE1-CZ 3.89Å; F135-Y158 AromaticContact CZ-CE1 3.92Å; F135-Y158 HydrophobicContact CZ-CE1 3.92Å; F135-Y158 HydrophobicContact CZ-CE2 4.25Å; F135-Y158 AromaticContact CZ-CZ 3.66Å
136	L	97.8	Very high	96	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-67.3	-38.9	-178.9	-69.8	163.4	0	0	0	112.4	L132 K133 S138 K139 G140 Y141 F143 K154 L155 Y158	L132-L136 WeakPolarHBondContact O-CB 3.4Å; L132-L136 WeakPolarHBondContact O-CD1 3.46Å; L132-L136 VanDerWaalsContact O-CG 3.29Å; L132-L136 WeakPolarHBondContact O-CG 3.39Å; L132-L136 PolarHBondContact O-N 2.85Å; K133-L136 PolarHBondContact O-N 3.38Å; L136-S138 VanDerWaalsContact C-N 3.29Å; L136-S138 PolarHBondContact O-N 3.02Å; L136-K139 CarbonylContact O-C 3.54Å; L136-K139 WeakPolarHBondContact O-CA 3.17Å; L136-K139 PolarHBondContact O-N 3.38Å; L136-G140 PolarHBondContact O-N 3.42Å; L136-Y141 HydrophobicContact CD2-CD2 4.27Å; L136-Y141 WeakPolarHBondContact O-CD2 3.31Å; L136-Y141 PolarHBondContact O-N 3.06Å; L136-Y141 VanDerWaalsContact O-N 3.09Å; L136-F143 HydrophobicContact CB-CE2 3.92Å; L136-F143 HydrophobicContact CB-CZ 4.04Å; L136-F143 HydrophobicContact CD1-CZ 3.93Å; L136-K154 HydrophobicContact CD1-CB 3.75Å; L136-L155 HydrophobicContact CD1-CB 4.24Å; L136-L155 HydrophobicContact CD2-CD1 4.2Å; L136-Y158 HydrophobicContact CD2-CG 4.2Å
137	E	97.2	Very high	96	Very high	94 Å²	94	70.6 Å²	70.6	44%	0.439	36%	0.357	S	S	.	.	H	α-helix	trans	-59.1	-41.3	172.1	-74	171.6	167.2	0	0	111	K133 K139 G140 F143	K133-E137 WeakPolarHBondContact CE-OE1 3.24Å; K133-E137 HydrophobicContact CG-CG 4.38Å; K133-E137 WeakPolarHBondContact O-CB 3.38Å; K133-E137 VanDerWaalsContact O-CG 3.31Å; K133-E137 WeakPolarHBondContact O-CG 3.32Å; K133-E137 PolarHBondContact O-N 3.3Å; E137-K139 PolarHBondContact O-N 2.96Å; E137-G140 PolarHBondContact O-N 3.15Å; E137-F143 HydrophobicContact CG-CD2 3.79Å; E137-F143 HydrophobicContact CG-CE2 3.93Å
138	S	97.5	Very high	96.1	Very high	88 Å²	88	66.4 Å²	66.4	62%	0.615	33%	0.331	S	S	*	.	H	α-helix	trans	-64.9	-19.7	175.6	83	0	0	0	0	114	K134 F135 L136	K134-S138 PolarHBondContact O-N 3.32Å; F135-S138 WeakPolarHBondContact O-CB 3.28Å; F135-S138 PolarHBondContact O-N 2.8Å; F135-S138 PolarHBondContact O-OG 3.31Å; L136-S138 VanDerWaalsContact C-N 3.29Å; L136-S138 PolarHBondContact O-N 3.02Å
139	K	96.8	Very high	96.1	Very high	112 Å²	112	65.6 Å²	65.6	49%	0.487	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	2	175.6	-60.9	-60.1	-176.4	-177.2	0	113	F135 L136 E137 Y141 Y158	F135-K139 HydrophobicContact CE1-CG 4.4Å; F135-K139 HydrophobicContact CE2-CG 4.49Å; F135-K139 HydrophobicContact CZ-CG 4.24Å; F135-K139 WeakPolarHBondContact O-CG 3.34Å; F135-K139 PolarHBondContact O-N 2.98Å; L136-K139 CarbonylContact O-C 3.54Å; L136-K139 WeakPolarHBondContact O-CA 3.17Å; L136-K139 PolarHBondContact O-N 3.38Å; E137-K139 PolarHBondContact O-N 2.96Å; K139-Y141 HydrophobicContact CB-CD2 3.95Å; K139-Y141 HydrophobicContact CB-CE2 4Å; K139-Y158 HydrophobicContact CB-CD2 4.45Å; K139-Y158 HydrophobicContact CB-CE2 4.3Å; K139-Y158 HydrophobicContact CD-CE2 4.2Å; K139-Y158 HydrophobicContact CG-CD2 4.35Å; K139-Y158 HydrophobicContact CG-CE2 3.82Å
140	G	96	Very high	96.2	Very high	64 Å²	64	63.3 Å²	63.3	66%	0.66	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.9	13	176.2	0	0	0	0	0	115.2	L136 E137	L136-G140 PolarHBondContact O-N 3.42Å; E137-G140 PolarHBondContact O-N 3.15Å
141	Y	96.8	Very high	96.4	Very high	35 Å²	35	57.1 Å²	57.1	14%	0.137	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-85	124.8	174.2	-65.4	-98.6	0	0	0	110.4	L136 K139 K154 K157 Y158 D161	L136-Y141 HydrophobicContact CD2-CD2 4.27Å; L136-Y141 WeakPolarHBondContact O-CD2 3.31Å; L136-Y141 PolarHBondContact O-N 3.06Å; L136-Y141 VanDerWaalsContact O-N 3.09Å; K139-Y141 HydrophobicContact CB-CD2 3.95Å; K139-Y141 HydrophobicContact CB-CE2 4Å; Y141-K154 HydrophobicContact CD1-CD 4.3Å; Y141-K157 HydrophobicContact CE1-CB 4.33Å; Y141-K157 HydrophobicContact CE1-CD 4.07Å; Y141-K157 HydrophobicContact CE1-CG 4.23Å; Y141-Y158 AromaticContact CE2-CD2 3.86Å; Y141-Y158 HydrophobicContact CE2-CD2 3.86Å; Y141-Y158 WeakPolarHBondContact OH-CA 3.35Å; Y141-D161 PolarHBondContact OH-OD2 3.24Å
142	E	95.5	Very high	96.4	Very high	155 Å²	155	51.9 Å²	51.9	72%	0.724	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-88.1	139.7	175.5	-63.9	-178.5	169.2	0	0	111.2	K154	E142-K154 WeakPolarHBondContact O-CE 3.44Å
143	F	96.9	Very high	96.5	Very high	38 Å²	38	51.2 Å²	51.2	17%	0.167	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-103.3	139.4	176.5	-75.9	-101.6	0	0	0	111.1	K133 L136 E137 E150 T151 K154	K133-F143 HydrophobicContact CB-CE1 4.48Å; K133-F143 HydrophobicContact CB-CE2 4.47Å; K133-F143 HydrophobicContact CB-CZ 4.17Å; K133-F143 HydrophobicContact CD-CD1 4.19Å; K133-F143 HydrophobicContact CD-CD2 4.48Å; K133-F143 HydrophobicContact CD-CE1 4.38Å; K133-F143 HydrophobicContact CD-CG 4.25Å; K133-F143 HydrophobicContact CG-CD1 4.27Å; K133-F143 HydrophobicContact CG-CD2 3.98Å; K133-F143 HydrophobicContact CG-CE1 4.11Å; K133-F143 HydrophobicContact CG-CE2 3.81Å; K133-F143 HydrophobicContact CG-CG 4.23Å; K133-F143 HydrophobicContact CG-CZ 3.87Å; L136-F143 HydrophobicContact CB-CE2 3.92Å; L136-F143 HydrophobicContact CB-CZ 4.04Å; L136-F143 HydrophobicContact CD1-CZ 3.93Å; E137-F143 HydrophobicContact CG-CD2 3.79Å; E137-F143 HydrophobicContact CG-CE2 3.93Å; F143-E150 WeakPolarHBondContact CA-OE1 3.39Å; F143-E150 HydrophobicContact CD1-CB 4.18Å; F143-E150 HydrophobicContact CD1-CG 3.76Å; F143-E150 HydrophobicContact CE1-CB 4.35Å; F143-E150 HydrophobicContact CE1-CG 4.08Å; F143-T151 HydrophobicContact CE1-CG2 3.67Å; F143-T151 HydrophobicContact CZ-CG2 4.07Å; F143-K154 HydrophobicContact CD1-CG 4.48Å; F143-K154 HydrophobicContact CE1-CG 3.94Å; F143-K154 HydrophobicContact CE2-CG 4.43Å; F143-K154 HydrophobicContact CZ-CB 4.2Å; F143-K154 HydrophobicContact CZ-CG 3.92Å
144	E	96.3	Very high	96.5	Very high	78 Å²	78	49 Å²	49	36%	0.364	25%	0.25	S	C	.	.			trans	-109.1	-20.5	178.3	65.8	-179.7	-170.4	0	0	113.8	V105 R111 E150	V105-E144 HydrophobicContact CG1-CG 4.39Å; V105-E144 VanDerWaalsContact CG1-O 3.28Å; V105-E144 WeakPolarHBondContact CG1-O 3.16Å; R111-E144 WeakPolarHBondContact CG-OE1 3.12Å; R111-E144 IonicContact CZ-OE1 2.65Å; R111-E144 IonicContact CZ-OE2 2.75Å; R111-E144 IonicContact NE-OE1 3.87Å; R111-E144 PolarHBondContact NE-OE1 3.09Å; R111-E144 IonicContact NE-OE2 3.75Å; R111-E144 PolarHBondContact NE-OE2 3.13Å; R111-E144 IonicContact NH2-OE1 3.76Å; R111-E144 PolarHBondContact NH2-OE1 3.07Å; R111-E144 IonicContact NH2-OE2 2.92Å; R111-E144 PolarHBondContact NH2-OE2 3.42Å; E144-E150 PolarHBondContact N-OE1 3.2Å; E144-E150 PolarHBondContact N-OE2 3.04Å
145	S	94.3	Very high	96.6	Very high	6 Å²	6	42.3 Å²	42.3	4%	0.042	22%	0.221	C	C	.	.			trans	-113.9	166.3	-176	85.5	0	0	0	0	112.6	N106 T147 E150	N106-S145 WeakPolarHBondContact OD1-CB 3.24Å; S145-T147 VanDerWaalsContact C-N 3.32Å; S145-T147 PolarHBondContact OG-N 3.12Å; S145-T147 PolarHBondContact OG-OG1 2.83Å; S145-E150 VanDerWaalsContact CA-OE2 3.31Å; S145-E150 WeakPolarHBondContact CA-OE2 3.3Å; S145-E150 WeakPolarHBondContact CB-OE2 3.36Å; S145-E150 PolarHBondContact N-OE2 2.5Å; S145-E150 WeakPolarHBondContact OG-CB 3.49Å; S145-E150 PolarHBondContact OG-OE2 2.77Å
146	E	92.2	Very high	96.6	Very high	124 Å²	124	38.6 Å²	38.6	58%	0.579	21%	0.205	S	C	*	.	S	Bend	trans	-95	7	172.7	-64.9	174.3	176.6	0	0	112	G100 N106	G100-E146 WeakPolarHBondContact CA-OE2 3.48Å; N106-E146 PolarHBondContact OD1-N 2.72Å; N106-E146 VanDerWaalsContact OD1-N 3.16Å
147	T	94	Very high	96.6	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.031	21%	0.21	C	C	.	.			trans	-84.8	143.7	-174.3	71.7	0	0	0	0	111.6	N106 Q110 S145 T149 E150	N106-T147 HydrophobicContact CB-CG2 3.75Å; N106-T147 WeakPolarHBondContact O-CG2 3.47Å; Q110-T147 PolarHBondContact NE2-OG1 2.65Å; S145-T147 VanDerWaalsContact C-N 3.32Å; S145-T147 PolarHBondContact OG-N 3.12Å; S145-T147 PolarHBondContact OG-OG1 2.83Å; T147-T149 PolarHBondContact O-N 2.81Å; T147-E150 PolarHBondContact OG1-N 3.4Å
148	D	94.5	Very high	96.6	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.011	20%	0.197	C	C	.	.	S	Bend	trans	-58.5	-36.5	167.3	64.3	-30.8	0	0	0	111.6	H122 I125 I126 Y129 E150 T151	H122-D148 IonicContact CE1-OD2 3.55Å; I125-D148 WeakPolarHBondContact CA-OD2 3.06Å; I126-D148 HydrophobicContact CB-CB 4.27Å; I126-D148 PolarHBondContact N-OD2 3.12Å; Y129-D148 HydrophobicContact CD1-CB 4.13Å; Y129-D148 HydrophobicContact CD2-CB 4.14Å; Y129-D148 HydrophobicContact CG-CB 3.75Å; D148-E150 VanDerWaalsContact C-N 3.29Å; D148-E150 PolarHBondContact O-N 2.87Å; D148-T151 WeakPolarHBondContact O-CB 3.45Å; D148-T151 PolarHBondContact O-N 3.35Å; D148-T151 VanDerWaalsContact O-N 3.11Å; D148-T151 PolarHBondContact O-OG1 3.44Å
149	T	96.7	Very high	96.5	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-60.5	-33.5	-175.5	-57.1	0	0	0	0	113.4	H108 Q110 V120 H122 T147 T151 I152	H108-T149 PolarHBondContact CE1-OG1 3.31Å; H108-T149 VanDerWaalsContact CE1-OG1 3.24Å; H108-T149 WeakPolarHBondContact NE2-CB 3.4Å; H108-T149 PolarHBondContact NE2-OG1 3.24Å; Q110-T149 HydrophobicContact CB-CG2 4.02Å; Q110-T149 HydrophobicContact CG-CG2 3.71Å; V120-T149 HydrophobicContact CG1-CG2 4.18Å; H122-T149 HydrophobicContact CB-CG2 3.44Å; H122-T149 VanDerWaalsContact CB-CG2 3.44Å; H122-T149 PolarHBondContact ND1-OG1 3.33Å; T147-T149 PolarHBondContact O-N 2.81Å; T149-T151 PolarHBondContact O-N 2.79Å; T149-I152 VanDerWaalsContact O-CB 3.32Å; T149-I152 WeakPolarHBondContact O-CB 3.36Å; T149-I152 PolarHBondContact O-N 3.29Å
150	E	97.6	Very high	96.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.2	-31.6	178.9	-174.4	178.1	-175.7	0	0	112.2	Q110 F143 E144 S145 T147 D148 I152 A153 K154	Q110-E150 HydrophobicContact CG-CB 4.42Å; F143-E150 WeakPolarHBondContact CA-OE1 3.39Å; F143-E150 HydrophobicContact CD1-CB 4.18Å; F143-E150 HydrophobicContact CD1-CG 3.76Å; F143-E150 HydrophobicContact CE1-CB 4.35Å; F143-E150 HydrophobicContact CE1-CG 4.08Å; E144-E150 PolarHBondContact N-OE1 3.2Å; E144-E150 PolarHBondContact N-OE2 3.04Å; S145-E150 VanDerWaalsContact CA-OE2 3.31Å; S145-E150 WeakPolarHBondContact CA-OE2 3.3Å; S145-E150 WeakPolarHBondContact CB-OE2 3.36Å; S145-E150 PolarHBondContact N-OE2 2.5Å; S145-E150 WeakPolarHBondContact OG-CB 3.49Å; S145-E150 PolarHBondContact OG-OE2 2.77Å; T147-E150 PolarHBondContact OG1-N 3.4Å; D148-E150 VanDerWaalsContact C-N 3.29Å; D148-E150 PolarHBondContact O-N 2.87Å; E150-I152 PolarHBondContact O-N 3.35Å; E150-A153 PolarHBondContact O-N 3.45Å; E150-A153 VanDerWaalsContact O-N 3.14Å; E150-K154 HydrophobicContact CG-CG 4.17Å; E150-K154 WeakPolarHBondContact O-CG 3.42Å; E150-K154 PolarHBondContact O-N 3.36Å; E150-K154 IonicContact OE1-NZ 3.78Å; E150-K154 PolarHBondContact OE1-NZ 2.9Å
151	T	97.7	Very high	96.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59.1	-33.2	176.5	66.4	0	0	0	0	111.9	L132 K133 F143 D148 T149 L155	L132-T151 HydrophobicContact CB-CG2 4.48Å; K133-T151 HydrophobicContact CB-CG2 3.98Å; F143-T151 HydrophobicContact CE1-CG2 3.67Å; F143-T151 HydrophobicContact CZ-CG2 4.07Å; D148-T151 WeakPolarHBondContact O-CB 3.45Å; D148-T151 PolarHBondContact O-N 3.35Å; D148-T151 VanDerWaalsContact O-N 3.11Å; D148-T151 PolarHBondContact O-OG1 3.44Å; T149-T151 PolarHBondContact O-N 2.79Å; T151-L155 WeakPolarHBondContact O-CB 3.28Å; T151-L155 PolarHBondContact O-N 2.77Å
152	I	98	Very high	96.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.8	-46.3	177.9	-50.5	177.5	0	0	0	110.6	V120 H122 I126 T149 E150 L155 V156 V177 L181 L187 F189	V120-I152 HydrophobicContact CG1-CB 4.34Å; V120-I152 HydrophobicContact CG1-CG2 4.41Å; V120-I152 HydrophobicContact CG2-CG2 4.33Å; H122-I152 HydrophobicContact CB-CD1 4.43Å; I126-I152 HydrophobicContact CD1-CD1 3.91Å; I126-I152 HydrophobicContact CG1-CD1 3.75Å; I126-I152 HydrophobicContact CG1-CG1 4.08Å; T149-I152 VanDerWaalsContact O-CB 3.32Å; T149-I152 WeakPolarHBondContact O-CB 3.36Å; T149-I152 PolarHBondContact O-N 3.29Å; E150-I152 PolarHBondContact O-N 3.35Å; I152-L155 PolarHBondContact O-N 3.04Å; I152-V156 PolarHBondContact O-N 3.48Å; I152-V177 HydrophobicContact CG2-CG1 4.07Å; I152-L181 HydrophobicContact CD1-CD1 4.24Å; I152-L181 HydrophobicContact CG1-CD1 4.15Å; I152-L181 HydrophobicContact CG1-CD2 4.19Å; I152-L181 HydrophobicContact CG2-CD1 4.28Å; I152-L187 HydrophobicContact CD1-CD1 4.27Å; I152-L187 HydrophobicContact CD1-CD2 3.57Å; I152-L187 HydrophobicContact CG2-CD1 4.19Å; I152-F189 HydrophobicContact CG2-CE1 3.74Å; I152-F189 HydrophobicContact CG2-CZ 3.54Å
153	A	97.9	Very high	96.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.9	-40.7	179.5	0	0	0	0	0	111.8	Q110 S112 V120 E150 V156 K157	Q110-A153 HydrophobicContact CB-CB 4.46Å; S112-A153 VanDerWaalsContact CB-O 3.26Å; S112-A153 WeakPolarHBondContact CB-O 3.42Å; V120-A153 HydrophobicContact CG1-CB 3.9Å; E150-A153 PolarHBondContact O-N 3.45Å; E150-A153 VanDerWaalsContact O-N 3.14Å; A153-V156 WeakPolarHBondContact O-CG1 3.37Å; A153-K157 PolarHBondContact O-N 3.3Å
154	K	98.3	Very high	95.8	Very high	7 Å²	7	35.8 Å²	35.8	3%	0.03	17%	0.168	C	C	.	.	H	α-helix	trans	-67.3	-40	174.9	-63.5	-54.6	-170.9	-76.1	0	111.7	R111 S112 L136 Y141 E142 F143 E150 K157 Y158	R111-K154 PolarHBondContact O-NZ 3.28Å; S112-K154 WeakPolarHBondContact O-CD 3.42Å; S112-K154 WeakPolarHBondContact O-CE 3.47Å; S112-K154 PolarHBondContact O-NZ 3.04Å; L136-K154 HydrophobicContact CD1-CB 3.75Å; Y141-K154 HydrophobicContact CD1-CD 4.3Å; E142-K154 WeakPolarHBondContact O-CE 3.44Å; F143-K154 HydrophobicContact CD1-CG 4.48Å; F143-K154 HydrophobicContact CE1-CG 3.94Å; F143-K154 HydrophobicContact CE2-CG 4.43Å; F143-K154 HydrophobicContact CZ-CB 4.2Å; F143-K154 HydrophobicContact CZ-CG 3.92Å; E150-K154 HydrophobicContact CG-CG 4.17Å; E150-K154 WeakPolarHBondContact O-CG 3.42Å; E150-K154 PolarHBondContact O-N 3.36Å; E150-K154 IonicContact OE1-NZ 3.78Å; E150-K154 PolarHBondContact OE1-NZ 2.9Å; K154-K157 PolarHBondContact O-N 3.49Å; K154-Y158 PolarHBondContact O-N 2.99Å
155	L	98.1	Very high	95.4	Very high	2 Å²	2	35 Å²	35	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-68.8	-39.5	-178.7	-172.1	61	0	0	0	113	L132 L136 T151 I152 K157 Y158 M159 V177 Q180 L181	L132-L155 HydrophobicContact CD2-CD2 4.21Å; L136-L155 HydrophobicContact CD1-CB 4.24Å; L136-L155 HydrophobicContact CD2-CD1 4.2Å; T151-L155 WeakPolarHBondContact O-CB 3.28Å; T151-L155 PolarHBondContact O-N 2.77Å; I152-L155 PolarHBondContact O-N 3.04Å; L155-K157 VanDerWaalsContact C-N 3.28Å; L155-K157 PolarHBondContact O-N 3.04Å; L155-Y158 HydrophobicContact CD1-CD1 4.26Å; L155-Y158 WeakPolarHBondContact O-CB 3.33Å; L155-Y158 PolarHBondContact O-N 3.31Å; L155-M159 HydrophobicContact CD1-CE 3.99Å; L155-M159 HydrophobicContact CG-CE 4.35Å; L155-M159 WeakPolarHBondContact O-CG 3.46Å; L155-M159 PolarHBondContact O-N 3.3Å; L155-V177 HydrophobicContact CD2-CG1 4.19Å; L155-V177 HydrophobicContact CG-CG2 4.32Å; L155-Q180 HydrophobicContact CD2-CB 3.93Å; L155-Q180 HydrophobicContact CD2-CG 4.44Å; L155-L181 HydrophobicContact CD2-CD2 4.24Å
156	V	97.7	Very high	94.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-38.1	175.5	65.6	0	0	0	0	111.3	F118 I152 A153 M159 Y160 L173 V177 F189	F118-V156 HydrophobicContact CB-CG1 3.68Å; F118-V156 HydrophobicContact CD1-CG1 3.94Å; F118-V156 HydrophobicContact CD1-CG2 3.91Å; F118-V156 HydrophobicContact CE1-CG2 4.07Å; F118-V156 HydrophobicContact CG-CG1 3.81Å; I152-V156 PolarHBondContact O-N 3.48Å; A153-V156 WeakPolarHBondContact O-CG1 3.37Å; V156-M159 PolarHBondContact O-N 2.88Å; V156-Y160 PolarHBondContact O-N 3.02Å; V156-L173 HydrophobicContact CG2-CB 4.32Å; V156-V177 HydrophobicContact CB-CG2 3.82Å; V156-V177 HydrophobicContact CG2-CG2 4.22Å; V156-F189 HydrophobicContact CB-CE1 4.27Å; V156-F189 HydrophobicContact CG1-CD1 4.39Å; V156-F189 HydrophobicContact CG1-CE1 4.22Å
157	K	97.8	Very high	94.6	Very high	24 Å²	24	42.2 Å²	42.2	10%	0.104	21%	0.213	C	C	.	.	H	α-helix	trans	-65.8	-42.7	174	-169.4	-177.9	-172.3	-38.8	0	111.9	D113 E117 F118 Y141 A153 K154 L155 M159 Y160 D161	D113-K157 HydrophobicContact CB-CD 4.44Å; D113-K157 VanDerWaalsContact OD2-CD 3.26Å; D113-K157 WeakPolarHBondContact OD2-CD 3.25Å; D113-K157 WeakPolarHBondContact OD2-CE 3.49Å; E117-K157 IonicContact OE1-NZ 3.22Å; E117-K157 VanDerWaalsContact OE2-CE 3.31Å; E117-K157 WeakPolarHBondContact OE2-CE 3.47Å; E117-K157 IonicContact OE2-NZ 3.62Å; F118-K157 HydrophobicContact CD2-CB 4.02Å; F118-K157 HydrophobicContact CD2-CG 4.23Å; F118-K157 HydrophobicContact CE2-CB 4.4Å; F118-K157 HydrophobicContact CE2-CG 4.37Å; Y141-K157 HydrophobicContact CE1-CB 4.33Å; Y141-K157 HydrophobicContact CE1-CD 4.07Å; Y141-K157 HydrophobicContact CE1-CG 4.23Å; A153-K157 PolarHBondContact O-N 3.3Å; K154-K157 PolarHBondContact O-N 3.49Å; L155-K157 VanDerWaalsContact C-N 3.28Å; L155-K157 PolarHBondContact O-N 3.04Å; K157-M159 VanDerWaalsContact C-N 3.3Å; K157-M159 PolarHBondContact O-N 3.3Å; K157-Y160 WeakPolarHBondContact O-CB 3.28Å; K157-Y160 PolarHBondContact O-N 3.13Å; K157-D161 IonicContact NZ-OD1 3.2Å; K157-D161 PolarHBondContact NZ-OD1 3.27Å; K157-D161 IonicContact NZ-OD2 3.08Å; K157-D161 PolarHBondContact NZ-OD2 3.28Å; K157-D161 WeakPolarHBondContact O-CB 3.31Å; K157-D161 VanDerWaalsContact O-CG 3.23Å; K157-D161 PolarHBondContact O-N 3.01Å
158	Y	97.8	Very high	94.4	Very high	42 Å²	42	42.5 Å²	42.5	17%	0.165	21%	0.214	C	C	.	.	H	α-helix	trans	-55.6	-44.3	172.8	175.7	-96.1	0	0	0	112.3	F135 L136 K139 Y141 K154 L155 Y160 D161 N162	F135-Y158 HydrophobicContact CE1-CD1 4.2Å; F135-Y158 AromaticContact CE1-CE1 3.85Å; F135-Y158 HydrophobicContact CE1-CE1 3.85Å; F135-Y158 HydrophobicContact CE1-CE2 4.28Å; F135-Y158 AromaticContact CE1-CZ 3.89Å; F135-Y158 AromaticContact CZ-CE1 3.92Å; F135-Y158 HydrophobicContact CZ-CE1 3.92Å; F135-Y158 HydrophobicContact CZ-CE2 4.25Å; F135-Y158 AromaticContact CZ-CZ 3.66Å; L136-Y158 HydrophobicContact CD2-CG 4.2Å; K139-Y158 HydrophobicContact CB-CD2 4.45Å; K139-Y158 HydrophobicContact CB-CE2 4.3Å; K139-Y158 HydrophobicContact CD-CE2 4.2Å; K139-Y158 HydrophobicContact CG-CD2 4.35Å; K139-Y158 HydrophobicContact CG-CE2 3.82Å; Y141-Y158 AromaticContact CE2-CD2 3.86Å; Y141-Y158 HydrophobicContact CE2-CD2 3.86Å; Y141-Y158 WeakPolarHBondContact OH-CA 3.35Å; K154-Y158 PolarHBondContact O-N 2.99Å; L155-Y158 HydrophobicContact CD1-CD1 4.26Å; L155-Y158 WeakPolarHBondContact O-CB 3.33Å; L155-Y158 PolarHBondContact O-N 3.31Å; Y158-Y160 VanDerWaalsContact C-N 3.29Å; Y158-Y160 PolarHBondContact O-N 3.38Å; Y158-D161 PolarHBondContact O-N 3.42Å; Y158-N162 WeakPolarHBondContact CD2-OD1 3.38Å; Y158-N162 WeakPolarHBondContact CE2-OD1 3.4Å; Y158-N162 WeakPolarHBondContact O-CB 3.45Å; Y158-N162 PolarHBondContact O-N 2.86Å; Y158-N162 PolarHBondContact O-OD1 3.16Å
159	M	96.5	Very high	94.2	Very high	28 Å²	28	44.5 Å²	44.5	14%	0.138	23%	0.225	C	C	.	.	H	α-helix	trans	-64.4	-34	176.4	-64	-61.2	175.5	0	0	112.8	L155 V156 K157 R163 L173 R176 V177 Q180	L155-M159 HydrophobicContact CD1-CE 3.99Å; L155-M159 HydrophobicContact CG-CE 4.35Å; L155-M159 WeakPolarHBondContact O-CG 3.46Å; L155-M159 PolarHBondContact O-N 3.3Å; V156-M159 PolarHBondContact O-N 2.88Å; K157-M159 VanDerWaalsContact C-N 3.3Å; K157-M159 PolarHBondContact O-N 3.3Å; M159-R163 PolarHBondContact O-N 2.94Å; M159-L173 HydrophobicContact CB-CD2 3.97Å; M159-R176 HydrophobicContact CE-CB 4.33Å; M159-R176 HydrophobicContact CG-CB 4.16Å; M159-R176 HydrophobicContact SD-CB 3.95Å; M159-V177 HydrophobicContact CG-CG2 4.03Å; M159-Q180 HydrophobicContact CE-CG 4.05Å
160	Y	96.5	Very high	94	Very high	34 Å²	34	44.5 Å²	44.5	13%	0.133	23%	0.225	C	C	.	.	H	α-helix	trans	-71.6	-43.7	176	179.2	-97.8	0	0	0	112.2	F118 V156 K157 Y158 N162 R163 L173 H193 Y194	F118-Y160 HydrophobicContact CE2-CD1 4.13Å; F118-Y160 AromaticContact CE2-CG 3.93Å; F118-Y160 HydrophobicContact CE2-CG 3.93Å; F118-Y160 HydrophobicContact CZ-CD1 4.29Å; F118-Y160 AromaticContact CZ-CD2 3.87Å; F118-Y160 HydrophobicContact CZ-CD2 3.87Å; F118-Y160 AromaticContact CZ-CG 3.7Å; F118-Y160 HydrophobicContact CZ-CG 3.7Å; V156-Y160 PolarHBondContact O-N 3.02Å; K157-Y160 WeakPolarHBondContact O-CB 3.28Å; K157-Y160 PolarHBondContact O-N 3.13Å; Y158-Y160 VanDerWaalsContact C-N 3.29Å; Y158-Y160 PolarHBondContact O-N 3.38Å; Y160-N162 PolarHBondContact O-N 3.46Å; Y160-R163 WeakPolarHBondContact O-CB 3.43Å; Y160-R163 WeakPolarHBondContact O-CD 3.16Å; Y160-R163 WeakPolarHBondContact O-CG 3.42Å; Y160-R163 PolarHBondContact O-N 3.29Å; Y160-R163 PolarHBondContact O-NH1 3.38Å; Y160-L173 HydrophobicContact CD2-CD1 3.89Å; Y160-H193 AromaticContact CE1-CD2 3.73Å; Y160-H193 AromaticContact CE1-CE1 3.79Å; Y160-H193 AromaticContact CE1-NE2 3.52Å; Y160-H193 HydrophobicContact CE2-CB 4.13Å; Y160-H193 AromaticContact CZ-CD2 3.71Å; Y160-H193 AromaticContact CZ-CE1 3.9Å; Y160-H193 AromaticContact CZ-CG 3.63Å; Y160-H193 AromaticContact CZ-ND1 3.78Å; Y160-H193 AromaticContact CZ-NE2 3.87Å; Y160-H193 PolarHBondContact OH-ND1 2.92Å; Y160-Y194 HydrophobicContact CD2-CE2 4.35Å; Y160-Y194 HydrophobicContact CE2-CE2 4.34Å
161	D	95.4	Very high	93.7	Very high	65 Å²	65	44.5 Å²	44.5	35%	0.348	23%	0.225	S	C	.	.	H	α-helix	trans	-66.3	-28.1	179.4	-65.5	-19.5	0	0	0	111.3	Y141 K157 Y158	Y141-D161 PolarHBondContact OH-OD2 3.24Å; K157-D161 IonicContact NZ-OD1 3.2Å; K157-D161 PolarHBondContact NZ-OD1 3.27Å; K157-D161 IonicContact NZ-OD2 3.08Å; K157-D161 PolarHBondContact NZ-OD2 3.28Å; K157-D161 WeakPolarHBondContact O-CB 3.31Å; K157-D161 VanDerWaalsContact O-CG 3.23Å; K157-D161 PolarHBondContact O-N 3.01Å; Y158-D161 PolarHBondContact O-N 3.42Å
162	N	94.2	Very high	93.4	Very high	95 Å²	95	44.8 Å²	44.8	51%	0.508	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	27.3	177.5	-65.5	109.3	0	0	0	113.9	Y158 Y160	Y158-N162 WeakPolarHBondContact CD2-OD1 3.38Å; Y158-N162 WeakPolarHBondContact CE2-OD1 3.4Å; Y158-N162 WeakPolarHBondContact O-CB 3.45Å; Y158-N162 PolarHBondContact O-N 2.86Å; Y158-N162 PolarHBondContact O-OD1 3.16Å; Y160-N162 PolarHBondContact O-N 3.46Å
163	R	92.3	Very high	93.3	Very high	69 Å²	69	44.8 Å²	44.8	26%	0.26	23%	0.227	S	C	.	.			trans	-66.6	148.7	178.1	67.8	-171.5	177.9	-90.9	2.2	112.4	M159 Y160 S165 D166 I168	M159-R163 PolarHBondContact O-N 2.94Å; Y160-R163 WeakPolarHBondContact O-CB 3.43Å; Y160-R163 WeakPolarHBondContact O-CD 3.16Å; Y160-R163 WeakPolarHBondContact O-CG 3.42Å; Y160-R163 PolarHBondContact O-N 3.29Å; Y160-R163 PolarHBondContact O-NH1 3.38Å; R163-S165 VanDerWaalsContact CD-O 3.26Å; R163-S165 WeakPolarHBondContact CD-O 3.41Å; R163-S165 WeakPolarHBondContact CG-O 3.49Å; R163-D166 IonicContact CZ-OD1 3.43Å; R163-D166 IonicContact NE-OD1 2.72Å; R163-D166 PolarHBondContact NE-OD1 2.97Å; R163-D166 IonicContact NH2-OD1 2.87Å; R163-D166 PolarHBondContact NH2-OD1 3.05Å; R163-I168 HydrophobicContact CB-CB 4.31Å; R163-I168 HydrophobicContact CB-CD1 3.96Å; R163-I168 HydrophobicContact CB-CG2 3.89Å; R163-I168 HydrophobicContact CG-CG2 4.37Å
164	E	87.9	Confident	93.1	Very high	169 Å²	169	44.8 Å²	44.8	79%	0.79	23%	0.227	S	C	*	.	S	Bend	trans	-80.6	-25.3	179.7	-65.1	173.3	-171.1	0	0	112.6	R176	E164-R176 IonicContact OE1-NH2 3.53Å; E164-R176 IonicContact OE2-NH2 3.97Å
165	S	88.4	Confident	92.9	Very high	63 Å²	63	44.7 Å²	44.7	44%	0.441	23%	0.226	S	C	.	.	S	Bend	trans	-142.1	148.5	-178	60.7	0	0	0	0	109.9	R163 D167 I168	R163-S165 VanDerWaalsContact CD-O 3.26Å; R163-S165 WeakPolarHBondContact CD-O 3.41Å; R163-S165 WeakPolarHBondContact CG-O 3.49Å; S165-D167 VanDerWaalsContact C-N 3.29Å; S165-D167 PolarHBondContact O-N 3.22Å; S165-I168 PolarHBondContact O-N 2.95Å
166	D	83.9	Confident	92.7	Very high	123 Å²	123	47.4 Å²	47.4	66%	0.658	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-31.1	177	-74.6	-41.8	0	0	0	113.1	R163 I168	R163-D166 IonicContact CZ-OD1 3.43Å; R163-D166 IonicContact NE-OD1 2.72Å; R163-D166 PolarHBondContact NE-OD1 2.97Å; R163-D166 IonicContact NH2-OD1 2.87Å; R163-D166 PolarHBondContact NH2-OD1 3.05Å; D166-I168 PolarHBondContact O-N 3.26Å; D166-I168 VanDerWaalsContact O-N 3.12Å
167	D	84.7	Confident	92.6	Very high	157 Å²	157	47.4 Å²	47.4	84%	0.84	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	33.4	179.2	-55.5	-34	0	0	0	113.1	S165 N169	S165-D167 VanDerWaalsContact C-N 3.29Å; S165-D167 PolarHBondContact O-N 3.22Å; D167-N169 PolarHBondContact O-N 3.08Å
168	I	89.8	Confident	92.5	Very high	12 Å²	12	46.3 Å²	46.3	6%	0.062	23%	0.232	C	C	.	.			trans	-66.6	128.7	179.4	-167	163.1	0	0	0	110.3	R163 S165 D166 T172 L173 Y194	R163-I168 HydrophobicContact CB-CB 4.31Å; R163-I168 HydrophobicContact CB-CD1 3.96Å; R163-I168 HydrophobicContact CB-CG2 3.89Å; R163-I168 HydrophobicContact CG-CG2 4.37Å; S165-I168 PolarHBondContact O-N 2.95Å; D166-I168 PolarHBondContact O-N 3.26Å; D166-I168 VanDerWaalsContact O-N 3.12Å; I168-T172 HydrophobicContact CD1-CG2 3.99Å; I168-T172 HydrophobicContact CG1-CG2 3.98Å; I168-L173 HydrophobicContact CD1-CD2 3.69Å; I168-L173 HydrophobicContact CD1-CG 4.35Å; I168-L173 HydrophobicContact CG1-CD2 4.23Å; I168-L173 HydrophobicContact CG1-CG 4.39Å; I168-L173 HydrophobicContact CG2-CD1 4.29Å; I168-L173 HydrophobicContact CG2-CD2 4.12Å; I168-L173 HydrophobicContact CG2-CG 4.27Å; I168-Y194 WeakPolarHBondContact CG2-OH 3.47Å; I168-Y194 WeakPolarHBondContact O-CE1 3.35Å; I168-Y194 PolarHBondContact O-OH 3.14Å
169	N	90.3	Very high	92.3	Very high	44 Å²	44	49.4 Å²	49.4	24%	0.235	25%	0.248	C	C	.	.			trans	-68.8	137.7	178.4	-172.5	-8.7	0	0	0	111	D167 A171 T172 L173 L239 M288	D167-N169 PolarHBondContact O-N 3.08Å; N169-A171 VanDerWaalsContact C-N 3.28Å; N169-A171 PolarHBondContact O-N 3.1Å; N169-A171 PolarHBondContact OD1-N 3.03Å; N169-T172 WeakPolarHBondContact O-CA 3.4Å; N169-T172 VanDerWaalsContact O-CB 3.29Å; N169-T172 WeakPolarHBondContact O-CB 3.46Å; N169-T172 PolarHBondContact O-N 3.49Å; N169-L173 PolarHBondContact O-N 3.44Å; N169-L239 HydrophobicContact CB-CD1 4.26Å; N169-M288 WeakPolarHBondContact OD1-CE 3.34Å; N169-M288 PolarHBondContact OD1-SD 3.06Å
170	F	93.9	Very high	92.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-55.4	-41.4	178.4	-164.5	-172.7	0	0	0	112.8	F118 T172 L173 V174 F189 Y194 E197 I199 M288	F118-F170 HydrophobicContact CD1-CE2 4.13Å; F118-F170 HydrophobicContact CD1-CZ 4.45Å; F118-F170 AromaticContact CE1-CE2 3.95Å; F118-F170 HydrophobicContact CE1-CE2 3.95Å; F170-T172 PolarHBondContact O-N 2.81Å; F170-L173 HydrophobicContact CD2-CD1 4.38Å; F170-L173 WeakPolarHBondContact O-CB 3.36Å; F170-L173 PolarHBondContact O-N 2.93Å; F170-L173 VanDerWaalsContact O-N 3.09Å; F170-V174 HydrophobicContact CD2-CG2 4.21Å; F170-V174 HydrophobicContact CE2-CG2 4.11Å; F170-V174 PolarHBondContact O-N 2.88Å; F170-V174 VanDerWaalsContact O-N 3.17Å; F170-F189 HydrophobicContact CE1-CB 4.49Å; F170-F189 HydrophobicContact CE2-CB 4.27Å; F170-F189 HydrophobicContact CZ-CB 3.71Å; F170-Y194 HydrophobicContact CB-CD1 3.73Å; F170-Y194 HydrophobicContact CB-CD2 3.88Å; F170-Y194 HydrophobicContact CB-CE1 3.93Å; F170-Y194 HydrophobicContact CB-CE2 4.09Å; F170-Y194 HydrophobicContact CB-CG 3.7Å; F170-Y194 AromaticContact CD1-CD2 3.92Å; F170-Y194 HydrophobicContact CD1-CD2 3.92Å; F170-Y194 AromaticContact CD1-CG 3.82Å; F170-Y194 HydrophobicContact CD1-CG 3.82Å; F170-Y194 AromaticContact CD2-CD2 3.84Å; F170-Y194 HydrophobicContact CD2-CD2 3.84Å; F170-Y194 HydrophobicContact CD2-CE2 4.01Å; F170-Y194 HydrophobicContact CD2-CG 4.44Å; F170-Y194 HydrophobicContact CE1-CD2 4.39Å; F170-Y194 HydrophobicContact CE2-CD2 4.32Å; F170-Y194 HydrophobicContact CG-CD1 4.32Å; F170-Y194 AromaticContact CG-CD2 3.62Å; F170-Y194 HydrophobicContact CG-CD2 3.62Å; F170-Y194 HydrophobicContact CG-CE2 4.07Å; F170-Y194 AromaticContact CG-CG 3.76Å; F170-Y194 HydrophobicContact CG-CG 3.76Å; F170-E197 WeakPolarHBondContact CB-OE2 3.32Å; F170-E197 HydrophobicContact CD1-CB 4.09Å; F170-I199 HydrophobicContact CB-CD1 4.19Å; F170-I199 HydrophobicContact CB-CG1 4.16Å; F170-I199 HydrophobicContact CD1-CD1 4.09Å; F170-I199 HydrophobicContact CD1-CG1 3.46Å; F170-I199 VanDerWaalsContact CD1-CG1 3.46Å; F170-I199 HydrophobicContact CD2-CG1 4.09Å; F170-I199 HydrophobicContact CE1-CG1 3.8Å; F170-I199 HydrophobicContact CE2-CG1 4.38Å; F170-I199 HydrophobicContact CG-CD1 4.18Å; F170-I199 HydrophobicContact CG-CG1 3.62Å; F170-I199 HydrophobicContact CZ-CG1 4.26Å; F170-M288 HydrophobicContact CB-CE 4.28Å
171	A	91.3	Very high	92.3	Very high	1 Å²	1	51 Å²	51	1%	0.008	26%	0.256	C	S	.	.	H	α-helix	trans	-58.3	-36.2	175.6	0	0	0	0	0	112.3	N169 L173 V174 E175 I199 V284 A286 M288	N169-A171 VanDerWaalsContact C-N 3.28Å; N169-A171 PolarHBondContact O-N 3.1Å; N169-A171 PolarHBondContact OD1-N 3.03Å; A171-L173 PolarHBondContact O-N 3.09Å; A171-V174 PolarHBondContact O-N 3.07Å; A171-E175 WeakPolarHBondContact O-CB 3.46Å; A171-E175 WeakPolarHBondContact O-CG 3.48Å; A171-E175 PolarHBondContact O-N 3.28Å; A171-I199 HydrophobicContact CB-CD1 4.16Å; A171-V284 HydrophobicContact CB-CG1 4.45Å; A171-A286 HydrophobicContact CB-CB 4.12Å; A171-M288 HydrophobicContact CB-CE 3.89Å
172	T	91.5	Very high	92.2	Very high	5 Å²	5	53.5 Å²	53.5	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-67.1	-36.3	177.6	-70.9	0	0	0	0	112.3	I168 N169 F170 R176 R227	I168-T172 HydrophobicContact CD1-CG2 3.99Å; I168-T172 HydrophobicContact CG1-CG2 3.98Å; N169-T172 WeakPolarHBondContact O-CA 3.4Å; N169-T172 VanDerWaalsContact O-CB 3.29Å; N169-T172 WeakPolarHBondContact O-CB 3.46Å; N169-T172 PolarHBondContact O-N 3.49Å; F170-T172 PolarHBondContact O-N 2.81Å; T172-R176 WeakPolarHBondContact O-CG 3.38Å; T172-R176 PolarHBondContact O-N 3.17Å; T172-R176 VanDerWaalsContact O-N 3.16Å; T172-R227 PolarHBondContact OG1-NH1 2.91Å; T172-R227 PolarHBondContact OG1-NH2 3.08Å
173	L	94.5	Very high	92	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.9	-47.8	175.3	-64.7	172.7	0	0	0	110.5	F118 V156 M159 Y160 I168 N169 F170 A171 E175 R176 V177 Y194	F118-L173 HydrophobicContact CE1-CD1 4.49Å; V156-L173 HydrophobicContact CG2-CB 4.32Å; M159-L173 HydrophobicContact CB-CD2 3.97Å; Y160-L173 HydrophobicContact CD2-CD1 3.89Å; I168-L173 HydrophobicContact CD1-CD2 3.69Å; I168-L173 HydrophobicContact CD1-CG 4.35Å; I168-L173 HydrophobicContact CG1-CD2 4.23Å; I168-L173 HydrophobicContact CG1-CG 4.39Å; I168-L173 HydrophobicContact CG2-CD1 4.29Å; I168-L173 HydrophobicContact CG2-CD2 4.12Å; I168-L173 HydrophobicContact CG2-CG 4.27Å; N169-L173 PolarHBondContact O-N 3.44Å; F170-L173 HydrophobicContact CD2-CD1 4.38Å; F170-L173 WeakPolarHBondContact O-CB 3.36Å; F170-L173 PolarHBondContact O-N 2.93Å; F170-L173 VanDerWaalsContact O-N 3.09Å; A171-L173 PolarHBondContact O-N 3.09Å; L173-E175 PolarHBondContact O-N 3.49Å; L173-R176 WeakPolarHBondContact O-CB 3.4Å; L173-R176 PolarHBondContact O-N 3.42Å; L173-V177 WeakPolarHBondContact O-CG2 3.41Å; L173-V177 PolarHBondContact O-N 3.15Å; L173-Y194 HydrophobicContact CD1-CE2 3.76Å; L173-Y194 WeakPolarHBondContact CD1-OH 3.32Å
174	V	94.9	Very high	91.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65	-39.5	-179.9	177.8	0	0	0	0	111.4	F170 A171 R176 V177 I178 F189 I199 T201 V284	F170-V174 HydrophobicContact CD2-CG2 4.21Å; F170-V174 HydrophobicContact CE2-CG2 4.11Å; F170-V174 PolarHBondContact O-N 2.88Å; F170-V174 VanDerWaalsContact O-N 3.17Å; A171-V174 PolarHBondContact O-N 3.07Å; V174-R176 VanDerWaalsContact C-N 3.31Å; V174-R176 PolarHBondContact O-N 3.26Å; V174-V177 WeakPolarHBondContact O-CB 3.4Å; V174-V177 PolarHBondContact O-N 3.38Å; V174-V177 VanDerWaalsContact O-N 3.13Å; V174-I178 HydrophobicContact CG1-CG2 4.3Å; V174-I178 WeakPolarHBondContact O-CG1 3.45Å; V174-I178 PolarHBondContact O-N 2.8Å; V174-F189 HydrophobicContact CG1-CD2 4.04Å; V174-F189 HydrophobicContact CG1-CE2 3.69Å; V174-F189 HydrophobicContact CG1-CZ 4.37Å; V174-F189 HydrophobicContact CG2-CD2 3.88Å; V174-F189 HydrophobicContact CG2-CE2 4.14Å; V174-F189 HydrophobicContact CG2-CG 4.09Å; V174-I199 HydrophobicContact CB-CG2 3.85Å; V174-I199 HydrophobicContact CG1-CG2 3.82Å; V174-I199 HydrophobicContact CG2-CB 4.01Å; V174-I199 HydrophobicContact CG2-CG1 4.2Å; V174-I199 HydrophobicContact CG2-CG2 3.76Å; V174-T201 HydrophobicContact CG1-CG2 3.95Å; V174-V284 HydrophobicContact CG1-CG1 4.5Å
175	E	93	Very high	92.2	Very high	5 Å²	5	40.5 Å²	40.5	2%	0.023	22%	0.218	C	C	.	.	H	α-helix	trans	-55.7	-44	172.1	-80.2	177	-172.1	0	0	112.5	A171 L173 V177 I178 Q179 R227 V284 I297	A171-E175 WeakPolarHBondContact O-CB 3.46Å; A171-E175 WeakPolarHBondContact O-CG 3.48Å; A171-E175 PolarHBondContact O-N 3.28Å; L173-E175 PolarHBondContact O-N 3.49Å; E175-V177 VanDerWaalsContact C-N 3.33Å; E175-I178 VanDerWaalsContact O-CG1 3.29Å; E175-I178 WeakPolarHBondContact O-CG1 3.42Å; E175-Q179 WeakPolarHBondContact O-CG 3.39Å; E175-Q179 PolarHBondContact O-N 2.71Å; E175-R227 IonicContact OE2-CZ 3.13Å; E175-R227 IonicContact OE2-NH1 3.62Å; E175-R227 PolarHBondContact OE2-NH1 3Å; E175-V284 HydrophobicContact CG-CG2 4.08Å; E175-I297 HydrophobicContact CB-CD1 4.03Å; E175-I297 HydrophobicContact CB-CG1 4.44Å; E175-I297 HydrophobicContact CG-CD1 4.21Å; E175-I297 HydrophobicContact CG-CG1 4.14Å
176	R	94.1	Very high	92.6	Very high	59 Å²	59	37.5 Å²	37.5	22%	0.223	20%	0.197	C	C	.	.	H	α-helix	trans	-66.4	-36.8	177.2	-70.5	173.6	-179.9	-167.1	-4.4	111.7	M159 E164 T172 L173 V174	M159-R176 HydrophobicContact CE-CB 4.33Å; M159-R176 HydrophobicContact CG-CB 4.16Å; M159-R176 HydrophobicContact SD-CB 3.95Å; E164-R176 IonicContact OE1-NH2 3.53Å; E164-R176 IonicContact OE2-NH2 3.97Å; T172-R176 WeakPolarHBondContact O-CG 3.38Å; T172-R176 PolarHBondContact O-N 3.17Å; T172-R176 VanDerWaalsContact O-N 3.16Å; L173-R176 WeakPolarHBondContact O-CB 3.4Å; L173-R176 PolarHBondContact O-N 3.42Å; V174-R176 VanDerWaalsContact C-N 3.31Å; V174-R176 PolarHBondContact O-N 3.26Å
177	V	96.1	Very high	93.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.3	-54.8	176.3	170.2	0	0	0	0	110.4	I152 L155 V156 M159 L173 V174 E175 Q179 Q180 L181	I152-V177 HydrophobicContact CG2-CG1 4.07Å; L155-V177 HydrophobicContact CD2-CG1 4.19Å; L155-V177 HydrophobicContact CG-CG2 4.32Å; V156-V177 HydrophobicContact CB-CG2 3.82Å; V156-V177 HydrophobicContact CG2-CG2 4.22Å; M159-V177 HydrophobicContact CG-CG2 4.03Å; L173-V177 WeakPolarHBondContact O-CG2 3.41Å; L173-V177 PolarHBondContact O-N 3.15Å; V174-V177 WeakPolarHBondContact O-CB 3.4Å; V174-V177 PolarHBondContact O-N 3.38Å; V174-V177 VanDerWaalsContact O-N 3.13Å; E175-V177 VanDerWaalsContact C-N 3.33Å; V177-Q179 PolarHBondContact O-N 2.75Å; V177-Q179 VanDerWaalsContact O-N 3.1Å; V177-Q180 PolarHBondContact O-N 2.86Å; V177-L181 HydrophobicContact CG1-CD1 4.02Å; V177-L181 HydrophobicContact CG1-CG 4.23Å; V177-L181 WeakPolarHBondContact O-CG 3.28Å; V177-L181 PolarHBondContact O-N 3.17Å
178	I	94.9	Very high	93.9	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-66.6	-15	-175.3	64.8	173.4	0	0	0	114.3	V174 E175 Q180 F185 L187 T201 R203 V284 I297	V174-I178 HydrophobicContact CG1-CG2 4.3Å; V174-I178 WeakPolarHBondContact O-CG1 3.45Å; V174-I178 PolarHBondContact O-N 2.8Å; E175-I178 VanDerWaalsContact O-CG1 3.29Å; E175-I178 WeakPolarHBondContact O-CG1 3.42Å; I178-Q180 VanDerWaalsContact C-N 3.33Å; I178-F185 HydrophobicContact CB-CE2 4.25Å; I178-F185 HydrophobicContact CB-CZ 3.99Å; I178-F185 HydrophobicContact CG2-CE2 3.79Å; I178-F185 HydrophobicContact CG2-CZ 4.01Å; I178-L187 HydrophobicContact CG2-CD1 4.49Å; I178-T201 HydrophobicContact CG2-CG2 3.79Å; I178-R203 PolarHBondContact O-NH1 2.91Å; I178-R203 PolarHBondContact O-NH2 2.88Å; I178-R203 VanDerWaalsContact O-NH2 3.07Å; I178-V284 HydrophobicContact CD1-CG2 3.57Å; I178-I297 HydrophobicContact CD1-CD1 4.41Å; I178-I297 HydrophobicContact CG1-CD1 4.45Å
179	Q	94.1	Very high	94.3	Very high	107 Å²	107	23.6 Å²	23.6	50%	0.5	12%	0.123	S	C	.	.	H	α-helix	trans	-72.1	-27	170.1	-76.3	176.2	-0.3	0	0	112.9	E175 V177 I297	E175-Q179 WeakPolarHBondContact O-CG 3.39Å; E175-Q179 PolarHBondContact O-N 2.71Å; V177-Q179 PolarHBondContact O-N 2.75Å; V177-Q179 VanDerWaalsContact O-N 3.1Å; Q179-I297 HydrophobicContact CG-CD1 3.72Å
180	Q	96.4	Very high	94.6	Very high	93 Å²	93	21.8 Å²	21.8	44%	0.435	11%	0.113	S	C	.	.	H	α-helix	trans	-93.3	-15.8	179.1	-55.1	-56.4	-53.9	0	0	112.6	N128 L132 L155 M159 V177 I178	N128-Q180 PolarHBondContact ND2-O 3.45Å; L132-Q180 HydrophobicContact CD2-CB 4.27Å; L155-Q180 HydrophobicContact CD2-CB 3.93Å; L155-Q180 HydrophobicContact CD2-CG 4.44Å; M159-Q180 HydrophobicContact CE-CG 4.05Å; V177-Q180 PolarHBondContact O-N 2.86Å; I178-Q180 VanDerWaalsContact C-N 3.33Å
181	L	96.1	Very high	94.8	Very high	2 Å²	2	22 Å²	22	1%	0.01	11%	0.114	C	C	.	.			trans	-83.1	131.7	-179.7	-58.9	-175.5	0	0	0	111.3	I126 L132 I152 L155 V177 F185 L187 R203	I126-L181 HydrophobicContact CD1-CB 4.4Å; I126-L181 HydrophobicContact CD1-CD1 4.16Å; I126-L181 HydrophobicContact CG2-CD2 4.14Å; L132-L181 HydrophobicContact CD1-CD2 3.65Å; I152-L181 HydrophobicContact CD1-CD1 4.24Å; I152-L181 HydrophobicContact CG1-CD1 4.15Å; I152-L181 HydrophobicContact CG1-CD2 4.19Å; I152-L181 HydrophobicContact CG2-CD1 4.28Å; L155-L181 HydrophobicContact CD2-CD2 4.24Å; V177-L181 HydrophobicContact CG1-CD1 4.02Å; V177-L181 HydrophobicContact CG1-CG 4.23Å; V177-L181 WeakPolarHBondContact O-CG 3.28Å; V177-L181 PolarHBondContact O-N 3.17Å; L181-F185 HydrophobicContact CB-CD1 4.27Å; L181-F185 HydrophobicContact CB-CE1 3.74Å; L181-F185 HydrophobicContact CB-CZ 4.34Å; L181-F185 HydrophobicContact CD1-CD1 4.37Å; L181-F185 HydrophobicContact CD1-CE1 4.26Å; L181-F185 HydrophobicContact CD1-CZ 4.46Å; L181-L187 HydrophobicContact CD1-CD1 3.97Å; L181-R203 PolarHBondContact O-NH1 2.85Å
182	E	93.9	Very high	95.1	Very high	117 Å²	117	23.2 Å²	23.2	55%	0.547	12%	0.122	S	C	.	.			trans	-113.9	143	170.8	-64.5	178.5	-179.4	0	0	110.9	I126 T127 N128	I126-E182 CarbonylContact C-O 3.57Å; I126-E182 WeakPolarHBondContact CA-O 3.4Å; T127-E182 PolarHBondContact N-O 2.91Å; T127-E182 WeakPolarHBondContact OG1-CB 3.32Å; T127-E182 PolarHBondContact OG1-O 3.28Å; N128-E182 HydrophobicContact CB-CB 4.03Å; N128-E182 HydrophobicContact CB-CG 4.31Å; N128-E182 PolarHBondContact OD1-N 3.41Å
183	G	90.6	Very high	95.3	Very high	31 Å²	31	26.1 Å²	26.1	32%	0.32	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	113.4	-157.5	-177.7	0	0	0	0	0	112.5	T127	T127-G183 PolarHBondContact OG1-N 2.9Å
184	A	90.3	Very high	95.3	Very high	29 Å²	29	27.4 Å²	27.4	24%	0.24	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134.3	179.7	0	0	0	0	0	109.6	G124 I125 R203	G124-A184 CarbonylContact C-O 3.57Å; G124-A184 WeakPolarHBondContact CA-O 3.24Å; I125-A184 PolarHBondContact N-O 3.48Å; I125-A184 PolarHBondContact O-N 3.23Å; A184-R203 CarbonylContact C-O 3.36Å; A184-R203 WeakPolarHBondContact CA-O 3.49Å
185	F	93.8	Very high	95.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	146.7	-179.9	52.8	-98.1	0	0	0	111.9	H122 N123 I126 I178 L181 L187 R202 R203	H122-F185 WeakPolarHBondContact NE2-CB 3.44Å; N123-F185 CarbonylContact O-C 3.49Å; N123-F185 VanDerWaalsContact O-CA 3.22Å; N123-F185 WeakPolarHBondContact O-CA 3.46Å; I126-F185 HydrophobicContact CD1-CB 3.97Å; I126-F185 HydrophobicContact CD1-CD1 3.8Å; I126-F185 HydrophobicContact CD1-CG 4.23Å; I178-F185 HydrophobicContact CB-CE2 4.25Å; I178-F185 HydrophobicContact CB-CZ 3.99Å; I178-F185 HydrophobicContact CG2-CE2 3.79Å; I178-F185 HydrophobicContact CG2-CZ 4.01Å; L181-F185 HydrophobicContact CB-CD1 4.27Å; L181-F185 HydrophobicContact CB-CE1 3.74Å; L181-F185 HydrophobicContact CB-CZ 4.34Å; L181-F185 HydrophobicContact CD1-CD1 4.37Å; L181-F185 HydrophobicContact CD1-CE1 4.26Å; L181-F185 HydrophobicContact CD1-CZ 4.46Å; F185-L187 HydrophobicContact CB-CD1 4.39Å; F185-L187 HydrophobicContact CB-CD2 4.29Å; F185-L187 HydrophobicContact CB-CG 4.12Å; F185-L187 HydrophobicContact CD2-CD1 3.62Å; F185-L187 HydrophobicContact CD2-CG 3.85Å; F185-L187 HydrophobicContact CE2-CD1 4.15Å; F185-L187 HydrophobicContact CG-CD1 4.14Å; F185-L187 HydrophobicContact CG-CG 4.32Å; F185-R202 CarbonylContact O-C 3.55Å; F185-R202 WeakPolarHBondContact O-CA 3.45Å; F185-R203 HydrophobicContact CD1-CB 4.41Å; F185-R203 HydrophobicContact CD2-CB 4.35Å; F185-R203 HydrophobicContact CE1-CB 4Å; F185-R203 HydrophobicContact CE2-CB 3.93Å; F185-R203 HydrophobicContact CZ-CB 3.74Å; F185-R203 PolarHBondContact N-O 2.86Å; F185-R203 PolarHBondContact O-N 3.26Å; F185-R203 VanDerWaalsContact O-O 3.11Å
186	A	95.8	Very high	95.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	130.1	155.7	0	0	0	0	0	106.9	I4 H122 N123 T201 R202 S205 L207	I4-A186 HydrophobicContact CD1-CB 4.17Å; I4-A186 WeakPolarHBondContact CD1-O 3.23Å; H122-A186 WeakPolarHBondContact CA-O 3.23Å; N123-A186 HydrophobicContact CB-CB 4.38Å; N123-A186 PolarHBondContact N-O 3.39Å; N123-A186 PolarHBondContact O-N 3.01Å; A186-T201 CarbonylContact C-O 3.41Å; A186-T201 WeakPolarHBondContact CA-O 3.33Å; A186-R202 HydrophobicContact CB-CB 4.29Å; A186-S205 WeakPolarHBondContact CB-OG 3.43Å; A186-L207 HydrophobicContact CB-CB 4.09Å
187	L	97.9	Very high	95.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	141.7	-169	-58	172.5	0	0	0	110.4	V120 I121 H122 I152 I178 L181 F185 F189 G200 T201	V120-L187 HydrophobicContact CG2-CB 4.38Å; V120-L187 HydrophobicContact CG2-CD2 4.1Å; I121-L187 WeakPolarHBondContact O-CA 3.43Å; H122-L187 HydrophobicContact CB-CD2 3.55Å; H122-L187 WeakPolarHBondContact CD2-CD2 3.45Å; I152-L187 HydrophobicContact CD1-CD1 4.27Å; I152-L187 HydrophobicContact CD1-CD2 3.57Å; I152-L187 HydrophobicContact CG2-CD1 4.19Å; I178-L187 HydrophobicContact CG2-CD1 4.49Å; L181-L187 HydrophobicContact CD1-CD1 3.97Å; F185-L187 HydrophobicContact CB-CD1 4.39Å; F185-L187 HydrophobicContact CB-CD2 4.29Å; F185-L187 HydrophobicContact CB-CG 4.12Å; F185-L187 HydrophobicContact CD2-CD1 3.62Å; F185-L187 HydrophobicContact CD2-CG 3.85Å; F185-L187 HydrophobicContact CE2-CD1 4.15Å; F185-L187 HydrophobicContact CG-CD1 4.14Å; F185-L187 HydrophobicContact CG-CG 4.32Å; L187-F189 HydrophobicContact CB-CD2 4.23Å; L187-F189 HydrophobicContact CB-CE2 3.61Å; L187-F189 HydrophobicContact CB-CZ 4.29Å; L187-F189 HydrophobicContact CD1-CE2 3.85Å; L187-F189 HydrophobicContact CD1-CZ 3.91Å; L187-F189 HydrophobicContact CG-CE2 4.31Å; L187-G200 VanDerWaalsContact O-CA 3.31Å; L187-G200 WeakPolarHBondContact O-CA 3.36Å; L187-T201 HydrophobicContact CB-CG2 3.95Å; L187-T201 HydrophobicContact CD1-CG2 4.13Å; L187-T201 HydrophobicContact CG-CG2 4.45Å; L187-T201 PolarHBondContact N-O 3.38Å; L187-T201 PolarHBondContact O-N 3.4Å
188	V	98.3	Very high	95.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	126.8	164.3	-179.1	0	0	0	0	108.4	I4 A6 I91 V120 I121 I199 L207 F260	I4-V188 HydrophobicContact CG2-CG2 3.74Å; A6-V188 HydrophobicContact CB-CG1 4.07Å; I91-V188 HydrophobicContact CG2-CG1 4.03Å; V120-V188 WeakPolarHBondContact CA-O 3.38Å; I121-V188 HydrophobicContact CD1-CB 4.07Å; I121-V188 HydrophobicContact CG1-CB 3.81Å; I121-V188 PolarHBondContact N-O 3.38Å; I121-V188 VanDerWaalsContact N-O 3.13Å; I121-V188 PolarHBondContact O-N 3.28Å; V188-I199 WeakPolarHBondContact CA-O 3.36Å; V188-L207 HydrophobicContact CG2-CD1 4.23Å; V188-F260 HydrophobicContact CG2-CB 4.03Å; V188-F260 HydrophobicContact CG2-CD1 4.22Å; V188-F260 HydrophobicContact CG2-CG 4.31Å
189	F	98.4	Very high	95.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	147.2	-177.6	-66.8	-95.4	0	0	0	111.8	V120 I152 V156 F170 V174 L187 I199 T201	V120-F189 HydrophobicContact CB-CD1 3.87Å; V120-F189 HydrophobicContact CB-CE1 3.92Å; V120-F189 HydrophobicContact CG2-CD1 3.7Å; V120-F189 HydrophobicContact CG2-CD2 4.27Å; V120-F189 HydrophobicContact CG2-CE1 3.55Å; V120-F189 HydrophobicContact CG2-CE2 4.13Å; V120-F189 HydrophobicContact CG2-CG 4.07Å; V120-F189 HydrophobicContact CG2-CZ 3.79Å; I152-F189 HydrophobicContact CG2-CE1 3.74Å; I152-F189 HydrophobicContact CG2-CZ 3.54Å; V156-F189 HydrophobicContact CB-CE1 4.27Å; V156-F189 HydrophobicContact CG1-CD1 4.39Å; V156-F189 HydrophobicContact CG1-CE1 4.22Å; F170-F189 HydrophobicContact CE1-CB 4.49Å; F170-F189 HydrophobicContact CE2-CB 4.27Å; F170-F189 HydrophobicContact CZ-CB 3.71Å; V174-F189 HydrophobicContact CG1-CD2 4.04Å; V174-F189 HydrophobicContact CG1-CE2 3.69Å; V174-F189 HydrophobicContact CG1-CZ 4.37Å; V174-F189 HydrophobicContact CG2-CD2 3.88Å; V174-F189 HydrophobicContact CG2-CE2 4.14Å; V174-F189 HydrophobicContact CG2-CG 4.09Å; L187-F189 HydrophobicContact CB-CD2 4.23Å; L187-F189 HydrophobicContact CB-CE2 3.61Å; L187-F189 HydrophobicContact CB-CZ 4.29Å; L187-F189 HydrophobicContact CD1-CE2 3.85Å; L187-F189 HydrophobicContact CD1-CZ 3.91Å; L187-F189 HydrophobicContact CG-CE2 4.31Å; F189-I199 HydrophobicContact CB-CB 4.43Å; F189-I199 PolarHBondContact N-O 3.35Å; F189-T201 HydrophobicContact CE2-CG2 4.38Å
190	K	98	Very high	95.3	Very high	7 Å²	7	25.4 Å²	25.4	3%	0.03	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	145.4	169.5	174.5	176.2	180	-179.5	0	109.7	I42 D43 I57 L89 I91 I119	I42-K190 VanDerWaalsContact C-NZ 3.35Å; D43-K190 VanDerWaalsContact N-NZ 3.16Å; D43-K190 WeakPolarHBondContact OD1-CE 3.46Å; D43-K190 IonicContact OD1-NZ 2.81Å; D43-K190 PolarHBondContact OD1-NZ 3.2Å; D43-K190 IonicContact OD2-NZ 3.63Å; I57-K190 HydrophobicContact CD1-CD 4.24Å; I57-K190 HydrophobicContact CD1-CG 4.01Å; L89-K190 HydrophobicContact CB-CD 4.38Å; L89-K190 HydrophobicContact CD2-CB 3.8Å; L89-K190 HydrophobicContact CD2-CD 4.18Å; L89-K190 HydrophobicContact CD2-CG 3.95Å; L89-K190 HydrophobicContact CG-CD 4.18Å; L89-K190 HydrophobicContact CG-CG 4.48Å; L89-K190 WeakPolarHBondContact O-CD 3.29Å; L89-K190 VanDerWaalsContact O-CE 3.32Å; L89-K190 WeakPolarHBondContact O-CE 3.48Å; L89-K190 PolarHBondContact O-NZ 3.07Å; I91-K190 HydrophobicContact CD1-CB 4.27Å; I91-K190 HydrophobicContact CG2-CB 4.34Å; I119-K190 HydrophobicContact CD1-CB 4.26Å; I119-K190 HydrophobicContact CD1-CD 4.22Å; I119-K190 HydrophobicContact CG1-CB 3.81Å; I119-K190 HydrophobicContact CG1-CG 4.33Å; I119-K190 PolarHBondContact N-O 3.23Å; I119-K190 PolarHBondContact O-N 3.44Å
191	S	97.8	Very high	95.4	Very high	3 Å²	3	21 Å²	21	2%	0.021	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	151.5	178.7	-177.2	0	0	0	0	112.7	E117 F118 H193 Y194	E117-S191 VanDerWaalsContact O-CA 3.23Å; E117-S191 WeakPolarHBondContact O-CA 3.37Å; E117-S191 WeakPolarHBondContact O-CB 3.24Å; E117-S191 PolarHBondContact O-OG 3.16Å; F118-S191 VanDerWaalsContact CD1-CB 3.49Å; F118-S191 WeakPolarHBondContact CD1-OG 3.1Å; F118-S191 VanDerWaalsContact CE1-OG 3.25Å; F118-S191 WeakPolarHBondContact CE1-OG 3.26Å; S191-H193 VanDerWaalsContact C-N 3.28Å; S191-H193 PolarHBondContact OG-N 3.17Å; S191-H193 VanDerWaalsContact OG-N 3.17Å; S191-Y194 CarbonylContact O-C 3.6Å
192	V	96.6	Very high	95.2	Very high	27 Å²	27	21.2 Å²	21.2	16%	0.164	12%	0.124	C	C	.	.	S	Bend	trans	-71.7	-22.2	170.4	-60.3	0	0	0	0	113	I57 E117 Y194	I57-V192 HydrophobicContact CB-CG1 4.47Å; I57-V192 HydrophobicContact CD1-CG1 3.72Å; I57-V192 HydrophobicContact CG1-CG1 3.72Å; E117-V192 HydrophobicContact CB-CG2 4.25Å; E117-V192 HydrophobicContact CG-CG2 4.39Å; E117-V192 PolarHBondContact O-N 3.48Å; E117-V192 VanDerWaalsContact O-N 3.12Å; V192-Y194 VanDerWaalsContact C-N 3.3Å
193	H	95.1	Very high	95.1	Very high	67 Å²	67	18.5 Å²	18.5	31%	0.31	11%	0.109	S	C	.	.	S	Bend	trans	-78.2	-19.6	179.4	-60.1	-59.5	0	0	0	112.4	E117 F118 Y160 S191	E117-H193 IonicContact OE2-CE1 2.97Å; E117-H193 IonicContact OE2-NE2 3.76Å; E117-H193 PolarHBondContact OE2-NE2 2.93Å; F118-H193 AromaticContact CE2-CD2 3.54Å; F118-H193 AromaticContact CZ-CD2 3.63Å; Y160-H193 AromaticContact CE1-CD2 3.73Å; Y160-H193 AromaticContact CE1-CE1 3.79Å; Y160-H193 AromaticContact CE1-NE2 3.52Å; Y160-H193 HydrophobicContact CE2-CB 4.13Å; Y160-H193 AromaticContact CZ-CD2 3.71Å; Y160-H193 AromaticContact CZ-CE1 3.9Å; Y160-H193 AromaticContact CZ-CG 3.63Å; Y160-H193 AromaticContact CZ-ND1 3.78Å; Y160-H193 AromaticContact CZ-NE2 3.87Å; Y160-H193 PolarHBondContact OH-ND1 2.92Å; S191-H193 VanDerWaalsContact C-N 3.28Å; S191-H193 PolarHBondContact OG-N 3.17Å; S191-H193 VanDerWaalsContact OG-N 3.17Å
194	Y	95.3	Very high	94.8	Very high	26 Å²	26	18.3 Å²	18.3	10%	0.102	11%	0.107	C	C	.	.	S	Bend	trans	-128.8	68	-178	-57.4	-80.2	0	0	0	109.7	F118 Y160 I168 F170 L173 S191 V192 G196 E197	F118-Y194 HydrophobicContact CE1-CD2 4.42Å; F118-Y194 HydrophobicContact CE1-CE2 4.28Å; F118-Y194 HydrophobicContact CZ-CE2 4.44Å; Y160-Y194 HydrophobicContact CD2-CE2 4.35Å; Y160-Y194 HydrophobicContact CE2-CE2 4.34Å; I168-Y194 WeakPolarHBondContact CG2-OH 3.47Å; I168-Y194 WeakPolarHBondContact O-CE1 3.35Å; I168-Y194 PolarHBondContact O-OH 3.14Å; F170-Y194 HydrophobicContact CB-CD1 3.73Å; F170-Y194 HydrophobicContact CB-CD2 3.88Å; F170-Y194 HydrophobicContact CB-CE1 3.93Å; F170-Y194 HydrophobicContact CB-CE2 4.09Å; F170-Y194 HydrophobicContact CB-CG 3.7Å; F170-Y194 AromaticContact CD1-CD2 3.92Å; F170-Y194 HydrophobicContact CD1-CD2 3.92Å; F170-Y194 AromaticContact CD1-CG 3.82Å; F170-Y194 HydrophobicContact CD1-CG 3.82Å; F170-Y194 AromaticContact CD2-CD2 3.84Å; F170-Y194 HydrophobicContact CD2-CD2 3.84Å; F170-Y194 HydrophobicContact CD2-CE2 4.01Å; F170-Y194 HydrophobicContact CD2-CG 4.44Å; F170-Y194 HydrophobicContact CE1-CD2 4.39Å; F170-Y194 HydrophobicContact CE2-CD2 4.32Å; F170-Y194 HydrophobicContact CG-CD1 4.32Å; F170-Y194 AromaticContact CG-CD2 3.62Å; F170-Y194 HydrophobicContact CG-CD2 3.62Å; F170-Y194 HydrophobicContact CG-CE2 4.07Å; F170-Y194 AromaticContact CG-CG 3.76Å; F170-Y194 HydrophobicContact CG-CG 3.76Å; L173-Y194 HydrophobicContact CD1-CE2 3.76Å; L173-Y194 WeakPolarHBondContact CD1-OH 3.32Å; S191-Y194 CarbonylContact O-C 3.6Å; V192-Y194 VanDerWaalsContact C-N 3.3Å; Y194-G196 PolarHBondContact O-N 2.8Å; Y194-E197 PolarHBondContact O-N 2.83Å
195	P	93.4	Very high	94.6	Very high	79 Å²	79	17.5 Å²	17.5	51%	0.513	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	132.1	-173.6	27.6	-35.2	0	0	0	111.2	A54 E197	A54-P195 HydrophobicContact CB-CB 3.74Å; P195-E197 PolarHBondContact O-N 3.43Å
196	G	89.6	Confident	94.4	Very high	15 Å²	15	18 Å²	18	16%	0.155	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	4.1	-179.3	0	0	0	0	0	115.3	Y194	Y194-G196 PolarHBondContact O-N 2.8Å
197	E	95.4	Very high	94.3	Very high	37 Å²	37	18.1 Å²	18.1	17%	0.173	10%	0.103	C	C	.	.			trans	-96.8	141.9	175.6	-60.7	-171.1	-170.8	0	0	112.2	L89 F170 Y194 P195 V287 M288	L89-E197 WeakPolarHBondContact CD2-O 3.3Å; F170-E197 WeakPolarHBondContact CB-OE2 3.32Å; F170-E197 HydrophobicContact CD1-CB 4.09Å; Y194-E197 PolarHBondContact O-N 2.83Å; P195-E197 PolarHBondContact O-N 3.43Å; E197-V287 VanDerWaalsContact CA-O 3.31Å; E197-V287 WeakPolarHBondContact CA-O 3.5Å; E197-M288 HydrophobicContact CG-CG 4.26Å
198	A	95.5	Very high	94	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132.5	173.4	0	0	0	0	0	110.8	L8 L89 F260 V287	L8-A198 HydrophobicContact CD1-CB 3.8Å; L89-A198 HydrophobicContact CD1-CB 3.96Å; L89-A198 HydrophobicContact CD2-CB 3.68Å; L89-A198 HydrophobicContact CG-CB 4.46Å; A198-F260 HydrophobicContact CB-CE2 3.64Å; A198-F260 HydrophobicContact CB-CZ 3.6Å; A198-V287 HydrophobicContact CB-CB 4.42Å; A198-V287 PolarHBondContact N-O 2.83Å; A198-V287 PolarHBondContact O-N 2.79Å
199	I	97.4	Very high	93.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	119.9	170.3	-48.7	-63.2	0	0	0	109.5	F170 A171 V174 V188 F189 V284 A285 A286 M288	F170-I199 HydrophobicContact CB-CD1 4.19Å; F170-I199 HydrophobicContact CB-CG1 4.16Å; F170-I199 HydrophobicContact CD1-CD1 4.09Å; F170-I199 HydrophobicContact CD1-CG1 3.46Å; F170-I199 VanDerWaalsContact CD1-CG1 3.46Å; F170-I199 HydrophobicContact CD2-CG1 4.09Å; F170-I199 HydrophobicContact CE1-CG1 3.8Å; F170-I199 HydrophobicContact CE2-CG1 4.38Å; F170-I199 HydrophobicContact CG-CD1 4.18Å; F170-I199 HydrophobicContact CG-CG1 3.62Å; F170-I199 HydrophobicContact CZ-CG1 4.26Å; A171-I199 HydrophobicContact CB-CD1 4.16Å; V174-I199 HydrophobicContact CB-CG2 3.85Å; V174-I199 HydrophobicContact CG1-CG2 3.82Å; V174-I199 HydrophobicContact CG2-CB 4.01Å; V174-I199 HydrophobicContact CG2-CG1 4.2Å; V174-I199 HydrophobicContact CG2-CG2 3.76Å; V188-I199 WeakPolarHBondContact CA-O 3.36Å; F189-I199 HydrophobicContact CB-CB 4.43Å; F189-I199 PolarHBondContact N-O 3.35Å; I199-V284 HydrophobicContact CG2-CG1 3.67Å; I199-A285 CarbonylContact C-O 3.51Å; I199-A285 WeakPolarHBondContact CA-O 3.35Å; I199-A286 HydrophobicContact CD1-CB 3.51Å; I199-M288 HydrophobicContact CD1-CE 3.75Å
200	G	96.8	Very high	93.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.4	173.5	0	0	0	0	0	111.1	L187 A285	L187-G200 VanDerWaalsContact O-CA 3.31Å; L187-G200 WeakPolarHBondContact O-CA 3.36Å; G200-A285 PolarHBondContact N-O 3.16Å; G200-A285 PolarHBondContact O-N 3.14Å
201	T	96.5	Very high	93.4	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	156.7	175.3	-175.1	0	0	0	0	111.9	V174 I178 A186 L187 F189 L207 D283	V174-T201 HydrophobicContact CG1-CG2 3.95Å; I178-T201 HydrophobicContact CG2-CG2 3.79Å; A186-T201 CarbonylContact C-O 3.41Å; A186-T201 WeakPolarHBondContact CA-O 3.33Å; L187-T201 HydrophobicContact CB-CG2 3.95Å; L187-T201 HydrophobicContact CD1-CG2 4.13Å; L187-T201 HydrophobicContact CG-CG2 4.45Å; L187-T201 PolarHBondContact N-O 3.38Å; L187-T201 PolarHBondContact O-N 3.4Å; F189-T201 HydrophobicContact CE2-CG2 4.38Å; T201-L207 WeakPolarHBondContact O-CD2 3.47Å; T201-D283 VanDerWaalsContact CA-O 3.24Å; T201-D283 WeakPolarHBondContact CA-O 3.35Å; T201-D283 VanDerWaalsContact CB-O 3.24Å; T201-D283 WeakPolarHBondContact CB-O 3.09Å; T201-D283 PolarHBondContact OG1-O 3.46Å
202	R	93.6	Very high	93.2	Very high	7 Å²	7	21.4 Å²	21.4	3%	0.026	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	157.5	177.7	62.3	158.6	-76.9	162	13.2	114.1	F185 A186 S205 L207 L279 E280 D281 D282	F185-R202 CarbonylContact O-C 3.55Å; F185-R202 WeakPolarHBondContact O-CA 3.45Å; A186-R202 HydrophobicContact CB-CB 4.29Å; R202-S205 WeakPolarHBondContact CB-O 3.36Å; R202-S205 WeakPolarHBondContact CD-O 3.45Å; R202-S205 PolarHBondContact NE-O 3.29Å; R202-S205 VanDerWaalsContact NE-O 3.14Å; R202-S205 PolarHBondContact NH1-O 3.26Å; R202-L207 HydrophobicContact CB-CB 4.05Å; R202-L207 HydrophobicContact CG-CB 4.34Å; R202-L279 VanDerWaalsContact CD-O 3.3Å; R202-L279 WeakPolarHBondContact CD-O 3.42Å; R202-L279 HydrophobicContact CG-CB 4Å; R202-E280 VanDerWaalsContact CG-O 3.24Å; R202-E280 WeakPolarHBondContact CG-O 3.36Å; R202-D281 IonicContact CZ-OD1 3.12Å; R202-D281 VanDerWaalsContact CZ-OD1 3.26Å; R202-D281 IonicContact NE-OD1 3.27Å; R202-D281 PolarHBondContact NE-OD1 2.82Å; R202-D281 IonicContact NH2-OD1 3.76Å; R202-D281 PolarHBondContact NH2-OD1 2.95Å; R202-D281 WeakPolarHBondContact O-CA 3.38Å; R202-D282 PolarHBondContact O-N 3.44Å
203	R	91.1	Very high	93	Very high	61 Å²	61	21.5 Å²	21.5	23%	0.23	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	116.2	164.8	-173.2	-177.9	-65.5	152.1	6.1	107.5	I178 L181 A184 F185 S205 D281 D282	I178-R203 PolarHBondContact O-NH1 2.91Å; I178-R203 PolarHBondContact O-NH2 2.88Å; I178-R203 VanDerWaalsContact O-NH2 3.07Å; L181-R203 PolarHBondContact O-NH1 2.85Å; A184-R203 CarbonylContact C-O 3.36Å; A184-R203 WeakPolarHBondContact CA-O 3.49Å; F185-R203 HydrophobicContact CD1-CB 4.41Å; F185-R203 HydrophobicContact CD2-CB 4.35Å; F185-R203 HydrophobicContact CE1-CB 4Å; F185-R203 HydrophobicContact CE2-CB 3.93Å; F185-R203 HydrophobicContact CZ-CB 3.74Å; F185-R203 PolarHBondContact N-O 2.86Å; F185-R203 PolarHBondContact O-N 3.26Å; F185-R203 VanDerWaalsContact O-O 3.11Å; R203-S205 PolarHBondContact O-N 3.24Å; R203-S205 VanDerWaalsContact O-N 3.08Å; R203-D281 WeakPolarHBondContact CA-OD1 3.49Å; R203-D282 IonicContact CZ-OD1 3.18Å; R203-D282 VanDerWaalsContact CZ-OD1 3.22Å; R203-D282 IonicContact NE-OD1 3.82Å; R203-D282 PolarHBondContact NE-OD1 3.43Å; R203-D282 IonicContact NH2-OD1 3.14Å; R203-D282 PolarHBondContact NH2-OD1 2.89Å
204	G	83.8	Confident	92.7	Very high	27 Å²	27	25.9 Å²	25.9	28%	0.278	14%	0.143	S	C	.	.	B	Isolated β-bridge	trans	67.5	4.7	177.9	0	0	0	0	0	117	D281	G204-D281 VanDerWaalsContact N-CG 3.27Å; G204-D281 PolarHBondContact N-OD1 3.23Å; G204-D281 PolarHBondContact N-OD2 3.42Å
205	S	87.4	Confident	92.5	Very high	11 Å²	11	27.5 Å²	27.5	8%	0.077	15%	0.151	C	C	.	.	S	Bend	trans	-132.5	137.7	172.2	174.7	0	0	0	0	110.8	A186 R202 R203 L207	A186-S205 WeakPolarHBondContact CB-OG 3.43Å; R202-S205 WeakPolarHBondContact CB-O 3.36Å; R202-S205 WeakPolarHBondContact CD-O 3.45Å; R202-S205 PolarHBondContact NE-O 3.29Å; R202-S205 VanDerWaalsContact NE-O 3.14Å; R202-S205 PolarHBondContact NH1-O 3.26Å; R203-S205 PolarHBondContact O-N 3.24Å; R203-S205 VanDerWaalsContact O-N 3.08Å; S205-L207 PolarHBondContact O-N 3.34Å
206	P	89.1	Confident	92.3	Very high	10 Å²	10	31.4 Å²	31.4	7%	0.065	16%	0.16	C	C	.	.			trans	-58.1	136.2	178.8	-24.4	34.1	0	0	0	114.2	S262 A264 E428	P206-S262 VanDerWaalsContact O-CA 3.31Å; P206-S262 WeakPolarHBondContact O-CA 3.38Å; P206-S262 WeakPolarHBondContact O-CB 3.28Å; P206-A264 HydrophobicContact CB-CB 4.33Å; P206-A264 HydrophobicContact CG-CB 4.43Å; P206-E428 HydrophobicContact CG-CG 3.93Å
207	L	92.8	Very high	92.3	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	16%	0.159	C	C	.	.			trans	-149.5	131.1	168.5	-171.5	61.3	0	0	0	108.2	I4 A186 V188 T201 R202 S205 L279	I4-L207 HydrophobicContact CG2-CD1 4.18Å; A186-L207 HydrophobicContact CB-CB 4.09Å; V188-L207 HydrophobicContact CG2-CD1 4.23Å; T201-L207 WeakPolarHBondContact O-CD2 3.47Å; R202-L207 HydrophobicContact CB-CB 4.05Å; R202-L207 HydrophobicContact CG-CB 4.34Å; S205-L207 PolarHBondContact O-N 3.34Å; L207-L279 HydrophobicContact CB-CD1 4.36Å; L207-L279 HydrophobicContact CD2-CD1 3.86Å; L207-L279 HydrophobicContact CG-CD1 3.99Å; L207-L279 WeakPolarHBondContact O-CB 3.4Å; L207-L279 PolarHBondContact O-N 2.93Å; L207-L279 VanDerWaalsContact O-N 3.13Å
208	L	92.4	Very high	92	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	164	175.8	66.1	77.7	0	0	0	110.7	F260 A261 D263 A266 V269 V276 I277 F278	L208-F260 WeakPolarHBondContact O-CA 3.48Å; L208-A261 HydrophobicContact CD1-CB 4.09Å; L208-A261 PolarHBondContact N-O 2.96Å; L208-A261 PolarHBondContact O-N 3.36Å; L208-D263 WeakPolarHBondContact CD2-O 3.5Å; L208-A266 HydrophobicContact CD1-CB 4.45Å; L208-A266 HydrophobicContact CD2-CB 3.71Å; L208-V269 HydrophobicContact CD1-CB 4.46Å; L208-V269 HydrophobicContact CD1-CG2 3.75Å; L208-V276 HydrophobicContact CD1-CG1 4.33Å; L208-I277 CarbonylContact C-O 3.32Å; L208-I277 VanDerWaalsContact CA-O 3.26Å; L208-I277 WeakPolarHBondContact CA-O 3.4Å; L208-I277 WeakPolarHBondContact CB-O 3.3Å; L208-F278 HydrophobicContact CB-CD1 4.01Å; L208-F278 HydrophobicContact CB-CE1 4.34Å; L208-F278 HydrophobicContact CD2-CD1 4.09Å; L208-F278 HydrophobicContact CD2-CE1 3.57Å; L208-F278 HydrophobicContact CD2-CZ 4.19Å
209	M	93.4	Very high	91.7	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	120.9	177.4	-62.7	-173.2	63	0	0	110.8	Y258 Y259 F260 V276 I277 A285 V287 L292	M209-Y258 HydrophobicContact CE-CD1 4.35Å; M209-Y259 CarbonylContact C-O 3.56Å; M209-Y259 VanDerWaalsContact CA-O 3.29Å; M209-Y259 WeakPolarHBondContact CA-O 3.49Å; M209-F260 HydrophobicContact CE-CD1 4Å; M209-F260 HydrophobicContact CE-CD2 4.42Å; M209-F260 HydrophobicContact CE-CE1 3.29Å; M209-F260 HydrophobicContact CE-CE2 3.78Å; M209-F260 HydrophobicContact CE-CZ 3.17Å; M209-F260 HydrophobicContact CG-CD1 3.73Å; M209-F260 HydrophobicContact CG-CE1 3.86Å; M209-F260 HydrophobicContact CG-CG 4.39Å; M209-F260 HydrophobicContact SD-CD1 3.97Å; M209-F260 HydrophobicContact SD-CE1 3.43Å; M209-F260 WeakPolarHBondContact SD-CE1 3.43Å; M209-F260 HydrophobicContact SD-CZ 3.99Å; M209-V276 CarbonylContact O-C 3.52Å; M209-V276 VanDerWaalsContact O-CA 3.25Å; M209-V276 WeakPolarHBondContact O-CA 3.42Å; M209-I277 HydrophobicContact CB-CB 4.45Å; M209-I277 PolarHBondContact N-O 3.34Å; M209-I277 PolarHBondContact O-N 3.47Å; M209-A285 HydrophobicContact SD-CB 3.52Å; M209-A285 VanDerWaalsContact SD-CB 3.52Å; M209-V287 HydrophobicContact CE-CG2 3.91Å; M209-L292 HydrophobicContact CE-CD1 3.52Å; M209-L292 HydrophobicContact CE-CD2 3.77Å; M209-L292 HydrophobicContact CE-CG 4.25Å; M209-L292 HydrophobicContact SD-CD1 3.71Å; M209-L292 HydrophobicContact SD-CD2 4.1Å
210	G	93.4	Very high	91.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	147.4	164.8	0	0	0	0	0	111.5	Y258 Y259 R275	G210-Y258 WeakPolarHBondContact O-CA 3.46Å; G210-Y259 PolarHBondContact N-O 2.83Å; G210-Y259 PolarHBondContact O-N 2.94Å; G210-R275 WeakPolarHBondContact CA-O 3.41Å
211	V	93.9	Very high	90.7	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	137.4	173.6	57.8	0	0	0	0	110.7	L217 L248 V256 E257 Y258 T273 R275	V211-L217 HydrophobicContact CG1-CD1 3.92Å; V211-L217 HydrophobicContact CG2-CD1 4.07Å; V211-L217 HydrophobicContact CG2-CD2 4.19Å; V211-L248 HydrophobicContact CB-CD2 4.36Å; V211-L248 HydrophobicContact CG1-CD2 4.12Å; V211-L248 HydrophobicContact CG2-CD2 4.21Å; V211-V256 HydrophobicContact CG2-CG2 3.94Å; V211-E257 WeakPolarHBondContact CA-O 3.47Å; V211-Y258 HydrophobicContact CB-CD1 4.21Å; V211-Y258 HydrophobicContact CB-CE1 4.27Å; V211-Y258 HydrophobicContact CG2-CD1 4.14Å; V211-Y258 HydrophobicContact CG2-CE1 3.84Å; V211-T273 WeakPolarHBondContact O-CB 3.39Å; V211-T273 WeakPolarHBondContact O-CG2 3.09Å; V211-T273 PolarHBondContact O-OG1 3.23Å; V211-R275 HydrophobicContact CG1-CB 4.2Å; V211-R275 PolarHBondContact N-O 3.14Å; V211-R275 VanDerWaalsContact N-O 3.15Å
212	R	94.3	Very high	90.4	Very high	74 Å²	74	43.2 Å²	43.2	28%	0.279	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	132	171.4	-174.1	171.9	70.1	-175.7	4.9	110	E257 Y259 H272	R212-E257 HydrophobicContact CB-CB 4.46Å; R212-E257 IonicContact CZ-OE2 3.33Å; R212-E257 PolarHBondContact N-O 2.95Å; R212-E257 IonicContact NE-OE2 3.49Å; R212-E257 PolarHBondContact NE-OE2 3.29Å; R212-E257 IonicContact NH2-OE1 2.79Å; R212-E257 PolarHBondContact NH2-OE1 3.4Å; R212-E257 IonicContact NH2-OE2 3.55Å; R212-E257 PolarHBondContact NH2-OE2 2.93Å; R212-E257 PolarHBondContact O-N 3.49Å; R212-Y259 HydrophobicContact CB-CE2 4.14Å; R212-Y259 PolarHBondContact NH2-OH 3.46Å; R212-Y259 VanDerWaalsContact NH2-OH 3.17Å; R212-H272 WeakPolarHBondContact CD-O 3.42Å
213	S	92.9	Very high	90.2	Very high	29 Å²	29	44.8 Å²	44.8	20%	0.203	23%	0.233	C	C	.	.			trans	-151.3	146.7	169.1	-178	0	0	0	0	108	H215 A255	S213-H215 PolarHBondContact O-N 2.93Å; S213-H215 PolarHBondContact OG-N 3.27Å; S213-H215 VanDerWaalsContact OG-N 3.16Å; S213-A255 PolarHBondContact OG-O 3.49Å
214	D	89.1	Confident	90	Very high	160 Å²	160	42.4 Å²	42.4	86%	0.856	22%	0.224	S	C	*	.	S	Bend	trans	-75	-10.8	171.3	-65.7	-29	0	0	0	111.6
215	H	90.3	Very high	90.2	Very high	59 Å²	59	42.8 Å²	42.8	27%	0.273	22%	0.22	S	C	.	.	S	Bend	trans	-102.6	160	-179	-55.4	-77.5	0	0	0	112	S213 L217 P250 E253	S213-H215 PolarHBondContact O-N 2.93Å; S213-H215 PolarHBondContact OG-N 3.27Å; S213-H215 VanDerWaalsContact OG-N 3.16Å; H215-L217 PolarHBondContact O-N 3.43Å; H215-P250 HydrophobicContact CB-CB 3.97Å; H215-E253 WeakPolarHBondContact CE1-CG 2.65Å; H215-E253 WeakPolarHBondContact NE2-CB 3.34Å
216	K	88.8	Confident	90	Very high	161 Å²	161	45.5 Å²	45.5	70%	0.7	23%	0.229	S	C	*	.	P	Polyproline II helix	trans	-64.8	130.5	175	-69.7	-179.4	-177.2	174.3	0	109.8	L251	K216-L251 HydrophobicContact CB-CD1 4.35Å; K216-L251 PolarHBondContact O-N 2.83Å
217	L	90.4	Very high	89	Confident	25 Å²	25	49.7 Å²	49.7	13%	0.131	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-77.4	149.4	173.4	-59.7	-179.8	0	0	0	110.4	V211 H215 T219 L248 I309	V211-L217 HydrophobicContact CG1-CD1 3.92Å; V211-L217 HydrophobicContact CG2-CD1 4.07Å; V211-L217 HydrophobicContact CG2-CD2 4.19Å; H215-L217 PolarHBondContact O-N 3.43Å; L217-T219 VanDerWaalsContact C-N 3.35Å; L217-T219 PolarHBondContact O-N 2.99Å; L217-L248 HydrophobicContact CB-CD1 3.79Å; L217-L248 HydrophobicContact CD1-CD1 4.13Å; L217-L248 HydrophobicContact CD1-CD2 4.49Å; L217-L248 HydrophobicContact CG-CD1 4.38Å; L217-I309 HydrophobicContact CD1-CD1 4.48Å
218	S	89.2	Confident	87	Confident	35 Å²	35	55.9 Å²	55.9	25%	0.245	29%	0.285	C	S	.	.	S	Bend	trans	-62.2	-34.8	-177.6	56.2	0	0	0	0	114.3	C247 L248 F249	S218-C247 PolarHBondContact OG-O 3.18Å; S218-L248 WeakPolarHBondContact OG-CA 3.33Å; S218-F249 WeakPolarHBondContact CB-O 3.19Å; S218-F249 PolarHBondContact N-O 3.01Å; S218-F249 PolarHBondContact OG-N 3.11Å; S218-F249 VanDerWaalsContact OG-N 3.13Å; S218-F249 PolarHBondContact OG-O 2.88Å
219	T	88.5	Confident	84.4	Confident	43 Å²	43	61.6 Å²	61.6	26%	0.264	33%	0.326	S	S	.	.			trans	-154.8	155.9	-176.3	-176.5	0	0	0	0	111.9	L217 H221 I222 L248 I309	L217-T219 VanDerWaalsContact C-N 3.35Å; L217-T219 PolarHBondContact O-N 2.99Å; T219-H221 VanDerWaalsContact CG2-O 3.27Å; T219-H221 WeakPolarHBondContact CG2-O 3.3Å; T219-H221 PolarHBondContact OG1-N 3.1Å; T219-H221 PolarHBondContact OG1-O 3.18Å; T219-I222 HydrophobicContact CG2-CG1 4.42Å; T219-L248 HydrophobicContact CG2-CD1 4.2Å; T219-L248 WeakPolarHBondContact O-CD1 3.37Å; T219-I309 VanDerWaalsContact O-CD1 3.24Å; T219-I309 WeakPolarHBondContact O-CD1 3.32Å
220	D	86	Confident	81.4	Confident	86 Å²	86	64.6 Å²	64.6	46%	0.46	36%	0.357	S	S	.	.	S	Bend	trans	-97.2	-3.2	168.5	-64.3	-27.6	0	0	0	112.5	R275 I309	D220-R275 IonicContact OD1-CZ 2.79Å; D220-R275 IonicContact OD1-NH1 2.88Å; D220-R275 IonicContact OD1-NH2 2.75Å; D220-R275 PolarHBondContact OD1-NH2 3.23Å; D220-I309 PolarHBondContact O-N 3.08Å
221	H	88.4	Confident	78.4	Confident	111 Å²	111	75.1 Å²	75.1	51%	0.514	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	118.7	178.1	-65.7	77.3	0	0	0	110	T219 A306 R307	T219-H221 VanDerWaalsContact CG2-O 3.27Å; T219-H221 WeakPolarHBondContact CG2-O 3.3Å; T219-H221 PolarHBondContact OG1-N 3.1Å; T219-H221 PolarHBondContact OG1-O 3.18Å; H221-A306 HydrophobicContact CB-CB 4.29Å; H221-R307 WeakPolarHBondContact CA-O 3.23Å
222	I	89.2	Confident	75.4	Confident	0 Å²	0	83.5 Å²	83.5	0%	0	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	117.2	179.9	-56.4	171.6	0	0	0	108.6	T219 L248 I277 L292 I294 A306 R307	T219-I222 HydrophobicContact CG2-CG1 4.42Å; I222-L248 HydrophobicContact CD1-CB 3.77Å; I222-L248 HydrophobicContact CD1-CD2 4.09Å; I222-L248 HydrophobicContact CG1-CB 4Å; I222-I277 HydrophobicContact CD1-CD1 3.54Å; I222-I277 HydrophobicContact CD1-CG1 4.3Å; I222-L292 HydrophobicContact CD1-CD2 3.88Å; I222-L292 HydrophobicContact CD1-CG 4.21Å; I222-I294 HydrophobicContact CB-CD1 4.27Å; I222-I294 HydrophobicContact CD1-CD1 4.26Å; I222-I294 HydrophobicContact CG2-CB 4.38Å; I222-I294 HydrophobicContact CG2-CD1 4.11Å; I222-I294 HydrophobicContact CG2-CG1 4.05Å; I222-A306 CarbonylContact O-C 3.55Å; I222-A306 WeakPolarHBondContact O-CA 3.32Å; I222-A306 VanDerWaalsContact O-CB 3.31Å; I222-A306 WeakPolarHBondContact O-CB 3.29Å; I222-R307 PolarHBondContact N-O 3.08Å; I222-R307 PolarHBondContact O-N 3.19Å
223	P	89.8	Confident	72.5	Confident	41 Å²	41	90 Å²	90	27%	0.266	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	142.3	176.8	28.1	-33.4	0	0	0	111.1
224	V	87.8	Confident	69.6	Low	10 Å²	10	97.8 Å²	97.8	6%	0.061	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	122	174.5	-179.1	0	0	0	0	109.1	Y226 I294 R296 P305 R307	V224-Y226 HydrophobicContact CB-CE2 4.23Å; V224-Y226 HydrophobicContact CG1-CE1 4.24Å; V224-Y226 HydrophobicContact CG1-CE2 4.11Å; V224-Y226 WeakPolarHBondContact O-CD2 3.26Å; V224-Y226 WeakPolarHBondContact O-CE2 3.32Å; V224-I294 HydrophobicContact CG2-CG2 4.43Å; V224-R296 HydrophobicContact CG1-CB 3.67Å; V224-P305 PolarHBondContact N-O 2.63Å; V224-R307 HydrophobicContact CG2-CG 4.47Å
225	L	86.8	Confident	66.8	Low	35 Å²	35	96 Å²	96	18%	0.183	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	134.5	179.4	-59.3	176.3	0	0	0	110.4	T246 I294 H295 R296	L225-T246 HydrophobicContact CD2-CG2 4.22Å; L225-I294 PolarHBondContact N-O 3.09Å; L225-H295 CarbonylContact O-C 3.52Å; L225-H295 WeakPolarHBondContact O-CA 3.26Å; L225-R296 PolarHBondContact O-N 3.09Å
226	Y	82.8	Confident	63.9	Low	68 Å²	68	98.8 Å²	98.8	27%	0.267	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	139.2	-179.1	-63.2	-85.4	0	0	0	111.8	V224 C228 R296 R299	V224-Y226 HydrophobicContact CB-CE2 4.23Å; V224-Y226 HydrophobicContact CG1-CE1 4.24Å; V224-Y226 HydrophobicContact CG1-CE2 4.11Å; V224-Y226 WeakPolarHBondContact O-CD2 3.26Å; V224-Y226 WeakPolarHBondContact O-CE2 3.32Å; Y226-C228 PolarHBondContact O-N 3.27Å; Y226-R296 WeakPolarHBondContact CA-O 3.43Å; Y226-R296 HydrophobicContact CD1-CB 4.2Å; Y226-R296 HydrophobicContact CE1-CB 4.01Å; Y226-R296 HydrophobicContact CE1-CG 4.28Å; Y226-R299 HydrophobicContact CD1-CB 3.92Å; Y226-R299 HydrophobicContact CE1-CB 3.59Å; Y226-R299 HydrophobicContact CE1-CG 4Å
227	R	69.8	Low	60.9	Low	99 Å²	99	97.3 Å²	97.3	37%	0.374	54%	0.537	S	S	.	.			trans	-80.6	116.1	171.3	-130.1	175.4	-177.6	157.4	4.5	109.9	T172 E175 S229	T172-R227 PolarHBondContact OG1-NH1 2.91Å; T172-R227 PolarHBondContact OG1-NH2 3.08Å; E175-R227 IonicContact OE2-CZ 3.13Å; E175-R227 IonicContact OE2-NH1 3.62Å; E175-R227 PolarHBondContact OE2-NH1 3Å; R227-S229 PolarHBondContact O-N 3.16Å
228	C	49.3	Very low	58.3	Low	132 Å²	132	100.3 Å²	100.3	89%	0.892	56%	0.56	S	S	*	*			trans	-67	116.2	175.8	-76.7	0	0	0	0	110.5	Y226	Y226-C228 PolarHBondContact O-N 3.27Å
229	S	39.3	Very low	56.2	Low	123 Å²	123	100.9 Å²	100.9	86%	0.86	56%	0.56	S	S	*	*			trans	-102.8	82.9	171	45.8	0	0	0	0	109.5	R227	R227-S229 PolarHBondContact O-N 3.16Å
230	G	29.6	Very low	53.9	Low	64 Å²	64	103.5 Å²	103.5	66%	0.66	58%	0.578	S	S	*	*	S	Bend	trans	-146.2	143.8	179.5	0	0	0	0	0	112.3	E232	G230-E232 PolarHBondContact O-N 3.1Å
231	K	30.5	Very low	52	Low	220 Å²	220	109.8 Å²	109.8	96%	0.957	60%	0.595	S	S	*	*	S	Bend	trans	-67.9	45	-177.2	-72.6	177.9	171.2	175.5	0	114.7
232	E	30.1	Very low	50.2	Low	179 Å²	179	107.8 Å²	107.8	84%	0.836	59%	0.591	S	S	*	*			trans	-106.7	73.1	167.3	-72.4	-169.3	165.3	0	0	109.6	G230 K234	G230-E232 PolarHBondContact O-N 3.1Å; E232-K234 PolarHBondContact O-N 2.8Å
233	K	33.9	Very low	48.7	Very low	210 Å²	210	112.7 Å²	112.7	91%	0.913	62%	0.617	S	S	*	*			trans	-73.6	71.6	167.2	-80.9	-172.3	174	-176.1	0	110
234	K	31.4	Very low	47.3	Very low	193 Å²	193	117.4 Å²	117.4	84%	0.839	64%	0.635	S	S	*	*	S	Bend	trans	-143.1	112.8	150.3	-75.3	-166	177.3	175	0	108.3	E232	E232-K234 PolarHBondContact O-N 2.8Å
235	S	30.8	Very low	46.2	Very low	123 Å²	123	123.9 Å²	123.9	86%	0.86	67%	0.67	S	S	*	*	S	Bend	trans	63.7	53.9	172.2	75.9	0	0	0	0	119.7
236	C	29.4	Very low	45.8	Very low	116 Å²	116	123.7 Å²	123.7	78%	0.784	67%	0.67	S	S	*	*			trans	-139.6	84.6	164	-126.2	0	0	0	0	111.6
237	S	25.7	Very low	45.9	Very low	130 Å²	130	120.5 Å²	120.5	91%	0.909	66%	0.658	S	S	*	*			trans	-106.2	25.4	171.7	56.8	0	0	0	0	112.3
238	S	36	Very low	46.8	Very low	88 Å²	88	115.8 Å²	115.8	62%	0.615	64%	0.64	S	S	*	*	S	Bend	trans	-151.7	144.7	176	56.7	0	0	0	0	109.7
239	L	44.2	Very low	48.7	Very low	47 Å²	47	110.2 Å²	110.2	25%	0.246	60%	0.601	C	S	.	*	P	Polyproline II helix	trans	-47.6	150	158.5	-76.3	145.8	0	0	0	108.9	N169 R241	N169-L239 HydrophobicContact CB-CD1 4.26Å; L239-R241 PolarHBondContact O-N 2.75Å; L239-R241 VanDerWaalsContact O-N 3.16Å
240	P	41.8	Very low	51.1	Low	99 Å²	99	104.8 Å²	104.8	64%	0.643	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-53.1	129.6	163.8	13.4	-12.7	0	0	0	106.6	T242	P240-T242 PolarHBondContact O-N 2.92Å
241	R	44.9	Very low	53.7	Low	218 Å²	218	106.3 Å²	106.3	82%	0.823	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-48.3	138.4	174.1	-78.8	179	171.1	171.9	-3.9	107.5	L239 D243	L239-R241 PolarHBondContact O-N 2.75Å; L239-R241 VanDerWaalsContact O-N 3.16Å; R241-D243 PolarHBondContact O-N 3.36Å
242	T	51.7	Low	56	Low	69 Å²	69	101.9 Å²	101.9	42%	0.423	54%	0.542	S	S	.	.			trans	-61	86.6	173	14.8	0	0	0	0	108.4	P240 C247	P240-T242 PolarHBondContact O-N 2.92Å; T242-C247 WeakPolarHBondContact CG2-SG 3.3Å
243	D	57.2	Low	58.7	Low	102 Å²	102	98.9 Å²	98.9	55%	0.545	53%	0.528	S	S	.	.			trans	-69.3	153.7	176.8	-74.8	-25.6	0	0	0	109.5	R241 D245 T246	R241-D243 PolarHBondContact O-N 3.36Å; D243-D245 PolarHBondContact O-N 3.26Å; D243-T246 PolarHBondContact N-OG1 3.04Å; D243-T246 PolarHBondContact O-N 3.03Å; D243-T246 PolarHBondContact O-OG1 3.37Å
244	Q	59.5	Low	61.4	Low	140 Å²	140	94.8 Å²	94.8	65%	0.654	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-25.6	-179.4	-72.1	-177.1	-6	0	0	113.3	T246 F249	Q244-T246 VanDerWaalsContact C-N 3.34Å; Q244-T246 PolarHBondContact O-N 2.76Å; Q244-F249 HydrophobicContact CB-CE1 4.44Å; Q244-F249 HydrophobicContact CB-CZ 3.92Å; Q244-F249 HydrophobicContact CG-CZ 4.07Å; Q244-F249 WeakPolarHBondContact O-CE1 3.46Å; Q244-F249 WeakPolarHBondContact O-CZ 3.23Å
245	D	64.4	Low	64.4	Low	147 Å²	147	86.8 Å²	86.8	79%	0.786	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-4.5	-178.5	-63.2	-22.7	0	0	0	114	D243	D243-D245 PolarHBondContact O-N 3.26Å
246	T	79.5	Confident	67.5	Low	30 Å²	30	80.9 Å²	80.9	18%	0.184	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-10	-171.2	62.6	0	0	0	0	114.8	L225 D243 Q244	L225-T246 HydrophobicContact CD2-CG2 4.22Å; D243-T246 PolarHBondContact N-OG1 3.04Å; D243-T246 PolarHBondContact O-N 3.03Å; D243-T246 PolarHBondContact O-OG1 3.37Å; Q244-T246 VanDerWaalsContact C-N 3.34Å; Q244-T246 PolarHBondContact O-N 2.76Å
247	C	85.7	Confident	70.7	Confident	1 Å²	1	75.8 Å²	75.8	1%	0.007	40%	0.403	C	S	.	.	S	Bend	trans	-123.4	152.8	-173.9	-60.4	0	0	0	0	112.1	S218 T242 F249 R291 L292	S218-C247 PolarHBondContact OG-O 3.18Å; T242-C247 WeakPolarHBondContact CG2-SG 3.3Å; C247-F249 HydrophobicContact CB-CD1 3.95Å; C247-F249 HydrophobicContact CB-CE1 4.33Å; C247-F249 VanDerWaalsContact O-CD1 3.3Å; C247-F249 WeakPolarHBondContact O-CD1 3.34Å; C247-F249 WeakPolarHBondContact O-CE1 3.31Å; C247-R291 HydrophobicContact CB-CB 4.08Å; C247-L292 CarbonylContact C-O 3.52Å; C247-L292 VanDerWaalsContact CA-O 3.29Å; C247-L292 WeakPolarHBondContact CA-O 3.36Å
248	L	88.5	Confident	74.1	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-86	123.9	165.3	-175.9	69.1	0	0	0	110.1	V211 L217 S218 T219 I222 Y258 I277 R291 L292 I309	V211-L248 HydrophobicContact CB-CD2 4.36Å; V211-L248 HydrophobicContact CG1-CD2 4.12Å; V211-L248 HydrophobicContact CG2-CD2 4.21Å; L217-L248 HydrophobicContact CB-CD1 3.79Å; L217-L248 HydrophobicContact CD1-CD1 4.13Å; L217-L248 HydrophobicContact CD1-CD2 4.49Å; L217-L248 HydrophobicContact CG-CD1 4.38Å; S218-L248 WeakPolarHBondContact OG-CA 3.33Å; T219-L248 HydrophobicContact CG2-CD1 4.2Å; T219-L248 WeakPolarHBondContact O-CD1 3.37Å; I222-L248 HydrophobicContact CD1-CB 3.77Å; I222-L248 HydrophobicContact CD1-CD2 4.09Å; I222-L248 HydrophobicContact CG1-CB 4Å; L248-Y258 PolarHBondContact O-OH 3.41Å; L248-I277 HydrophobicContact CD2-CD1 3.99Å; L248-R291 WeakPolarHBondContact O-CA 3.26Å; L248-L292 HydrophobicContact CB-CB 4.17Å; L248-L292 HydrophobicContact CD2-CD2 4.21Å; L248-L292 PolarHBondContact N-O 3.09Å; L248-L292 PolarHBondContact O-N 3.5Å; L248-I309 HydrophobicContact CD1-CD1 3.62Å; L248-I309 HydrophobicContact CD2-CD1 3.69Å; L248-I309 HydrophobicContact CG-CD1 4.3Å
249	F	88.8	Confident	77	Confident	15 Å²	15	65.4 Å²	65.4	7%	0.066	33%	0.331	C	S	.	.			trans	-159	160.2	174.5	57.8	-83	0	0	0	110.8	S218 Q244 C247 L251 R291	S218-F249 WeakPolarHBondContact CB-O 3.19Å; S218-F249 PolarHBondContact N-O 3.01Å; S218-F249 PolarHBondContact OG-N 3.11Å; S218-F249 VanDerWaalsContact OG-N 3.13Å; S218-F249 PolarHBondContact OG-O 2.88Å; Q244-F249 HydrophobicContact CB-CE1 4.44Å; Q244-F249 HydrophobicContact CB-CZ 3.92Å; Q244-F249 HydrophobicContact CG-CZ 4.07Å; Q244-F249 WeakPolarHBondContact O-CE1 3.46Å; Q244-F249 WeakPolarHBondContact O-CZ 3.23Å; C247-F249 HydrophobicContact CB-CD1 3.95Å; C247-F249 HydrophobicContact CB-CE1 4.33Å; C247-F249 VanDerWaalsContact O-CD1 3.3Å; C247-F249 WeakPolarHBondContact O-CD1 3.34Å; C247-F249 WeakPolarHBondContact O-CE1 3.31Å; F249-L251 HydrophobicContact CE2-CD2 4.25Å; F249-R291 HydrophobicContact CB-CB 4.41Å; F249-R291 HydrophobicContact CB-CG 3.96Å; F249-R291 HydrophobicContact CD1-CG 4.41Å; F249-R291 VanDerWaalsContact CE1-NH1 3.3Å; F249-R291 HydrophobicContact CG-CG 4.3Å
250	P	89.5	Confident	79.4	Confident	9 Å²	9	63.2 Å²	63.2	6%	0.058	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-67.7	133.2	169.9	26.8	-35.7	0	0	0	112.3	H215 E253 V256	H215-P250 HydrophobicContact CB-CB 3.97Å; P250-E253 VanDerWaalsContact CB-O 3.22Å; P250-E253 WeakPolarHBondContact CB-O 3.04Å; P250-E253 WeakPolarHBondContact CG-O 3.32Å; P250-V256 HydrophobicContact CG-CB 4.08Å; P250-V256 HydrophobicContact CG-CG1 4.33Å
251	L	83.9	Confident	81.9	Confident	97 Å²	97	58.5 Å²	58.5	51%	0.508	29%	0.288	S	S	.	.	S	Bend	trans	-73.4	-40	-172.3	-74	169.7	0	0	0	114.6	K216 F249	K216-L251 HydrophobicContact CB-CD1 4.35Å; K216-L251 PolarHBondContact O-N 2.83Å; F249-L251 HydrophobicContact CE2-CD2 4.25Å
252	D	78.9	Confident	84	Confident	126 Å²	126	48.1 Å²	48.1	67%	0.674	25%	0.249	S	C	*	.	S	Bend	trans	-102.7	-24.3	-167.9	-60.1	-45.8	0	0	0	113.7
253	E	87.8	Confident	85.3	Confident	116 Å²	116	44.9 Å²	44.9	54%	0.542	23%	0.229	S	C	.	.			trans	-141.6	168.2	-174.1	-77.5	-65.7	169.2	0	0	109.4	H215 P250	H215-E253 WeakPolarHBondContact CE1-CG 2.65Å; H215-E253 WeakPolarHBondContact NE2-CB 3.34Å; P250-E253 VanDerWaalsContact CB-O 3.22Å; P250-E253 WeakPolarHBondContact CB-O 3.04Å; P250-E253 WeakPolarHBondContact CG-O 3.32Å
254	K	89.7	Confident	85.2	Confident	124 Å²	124	40.6 Å²	40.6	54%	0.539	21%	0.208	S	C	.	.			trans	-90.5	-12.8	179.1	-62.3	-174.8	-179.7	-177.4	0	114.4	Y10 H11 V256	Y10-K254 HydrophobicContact CD1-CB 4.49Å; Y10-K254 WeakPolarHBondContact CD1-O 3.46Å; Y10-K254 HydrophobicContact CE1-CB 4.23Å; H11-K254 HydrophobicContact CB-CB 4.05Å; H11-K254 VanDerWaalsContact CD2-CB 3.43Å; H11-K254 WeakPolarHBondContact CD2-CB 3.4Å; H11-K254 WeakPolarHBondContact NE2-CD 3.3Å; K254-V256 PolarHBondContact O-N 3.32Å
255	A	94.4	Very high	85	Confident	25 Å²	25	35.1 Å²	35.1	21%	0.207	19%	0.186	C	C	.	.			trans	-64.4	113.1	-172.4	0	0	0	0	0	112.5	Y10 V12 S213	Y10-A255 WeakPolarHBondContact O-CA 3.17Å; V12-A255 HydrophobicContact CG2-CB 3.92Å; S213-A255 PolarHBondContact OG-O 3.49Å
256	V	95.9	Very high	84.9	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	146.9	177.2	63.4	0	0	0	0	111.8	Y10 V211 P250 K254 Y258	Y10-V256 HydrophobicContact CD1-CG1 4.32Å; Y10-V256 PolarHBondContact N-O 3.21Å; Y10-V256 PolarHBondContact O-N 3.13Å; V211-V256 HydrophobicContact CG2-CG2 3.94Å; P250-V256 HydrophobicContact CG-CB 4.08Å; P250-V256 HydrophobicContact CG-CG1 4.33Å; K254-V256 PolarHBondContact O-N 3.32Å; V256-Y258 HydrophobicContact CB-CE2 4.34Å; V256-Y258 HydrophobicContact CG1-CD2 4.4Å; V256-Y258 HydrophobicContact CG1-CE2 3.58Å; V256-Y258 HydrophobicContact CG2-CD2 4.38Å; V256-Y258 HydrophobicContact CG2-CE1 4.21Å; V256-Y258 HydrophobicContact CG2-CE2 3.79Å
257	E	96.6	Very high	84.4	Confident	9 Å²	9	26.8 Å²	26.8	4%	0.042	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	133.9	175.5	-66.5	165.5	122.3	0	0	110.4	Y7 L8 N9 V12 R14 V211 R212 Y259	Y7-E257 HydrophobicContact CE2-CB 4.08Å; Y7-E257 HydrophobicContact CE2-CG 4.03Å; Y7-E257 PolarHBondContact OH-OE1 3.44Å; L8-E257 CarbonylContact O-C 3.35Å; L8-E257 VanDerWaalsContact O-CA 3.28Å; L8-E257 WeakPolarHBondContact O-CA 3.25Å; N9-E257 HydrophobicContact CB-CG 4.43Å; V12-E257 HydrophobicContact CB-CG 4.21Å; V12-E257 HydrophobicContact CG1-CG 4.25Å; V12-E257 HydrophobicContact CG2-CG 4.09Å; R14-E257 IonicContact CZ-OE1 3.64Å; R14-E257 IonicContact NE-OE1 2.67Å; R14-E257 IonicContact NH2-OE1 3.87Å; R14-E257 PolarHBondContact NH2-OE1 2.83Å; V211-E257 WeakPolarHBondContact CA-O 3.47Å; R212-E257 HydrophobicContact CB-CB 4.46Å; R212-E257 IonicContact CZ-OE2 3.33Å; R212-E257 PolarHBondContact N-O 2.95Å; R212-E257 IonicContact NE-OE2 3.49Å; R212-E257 PolarHBondContact NE-OE2 3.29Å; R212-E257 IonicContact NH2-OE1 2.79Å; R212-E257 PolarHBondContact NH2-OE1 3.4Å; R212-E257 IonicContact NH2-OE2 3.55Å; R212-E257 PolarHBondContact NH2-OE2 2.93Å; R212-E257 PolarHBondContact O-N 3.49Å; E257-Y259 HydrophobicContact CB-CE2 3.81Å
258	Y	96.8	Very high	84.2	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	141.6	175.7	-60.8	-81.2	0	0	0	111.2	L8 M209 G210 V211 L248 V256 V287 G290 L292	L8-Y258 HydrophobicContact CD2-CD2 4.31Å; L8-Y258 PolarHBondContact N-O 3.05Å; L8-Y258 PolarHBondContact O-N 3.44Å; M209-Y258 HydrophobicContact CE-CD1 4.35Å; G210-Y258 WeakPolarHBondContact O-CA 3.46Å; V211-Y258 HydrophobicContact CB-CD1 4.21Å; V211-Y258 HydrophobicContact CB-CE1 4.27Å; V211-Y258 HydrophobicContact CG2-CD1 4.14Å; V211-Y258 HydrophobicContact CG2-CE1 3.84Å; L248-Y258 PolarHBondContact O-OH 3.41Å; V256-Y258 HydrophobicContact CB-CE2 4.34Å; V256-Y258 HydrophobicContact CG1-CD2 4.4Å; V256-Y258 HydrophobicContact CG1-CE2 3.58Å; V256-Y258 HydrophobicContact CG2-CD2 4.38Å; V256-Y258 HydrophobicContact CG2-CE1 4.21Å; V256-Y258 HydrophobicContact CG2-CE2 3.79Å; Y258-V287 HydrophobicContact CD2-CG1 3.82Å; Y258-V287 HydrophobicContact CD2-CG2 4.17Å; Y258-V287 HydrophobicContact CE2-CG1 3.72Å; Y258-V287 HydrophobicContact CE2-CG2 4.43Å; Y258-V287 HydrophobicContact CG-CG2 4.22Å; Y258-G290 WeakPolarHBondContact CE2-O 3.4Å; Y258-G290 PolarHBondContact OH-O 3.19Å; Y258-L292 HydrophobicContact CD1-CD2 4.42Å; Y258-L292 HydrophobicContact CE1-CB 3.82Å; Y258-L292 HydrophobicContact CE1-CD2 4.11Å
259	Y	96.4	Very high	84	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	109.7	-177.6	-56.6	-93.9	0	0	0	109.6	F5 A6 Y7 I22 M209 G210 R212 E257 H272 T273	F5-Y259 HydrophobicContact CE2-CD1 4.42Å; F5-Y259 HydrophobicContact CZ-CD1 4.04Å; A6-Y259 CarbonylContact O-C 3.44Å; A6-Y259 WeakPolarHBondContact O-CA 3.39Å; Y7-Y259 AromaticContact CD2-CD1 3.79Å; Y7-Y259 HydrophobicContact CD2-CD1 3.79Å; Y7-Y259 AromaticContact CD2-CE1 3.36Å; Y7-Y259 HydrophobicContact CD2-CE1 3.36Å; Y7-Y259 AromaticContact CD2-CZ 3.88Å; Y7-Y259 HydrophobicContact CE2-CD1 4.44Å; Y7-Y259 AromaticContact CE2-CE1 3.6Å; Y7-Y259 HydrophobicContact CE2-CE1 3.6Å; Y7-Y259 AromaticContact CE2-CZ 3.69Å; Y7-Y259 HydrophobicContact CG-CE1 4.44Å; I22-Y259 HydrophobicContact CG2-CE1 4.48Å; M209-Y259 CarbonylContact C-O 3.56Å; M209-Y259 VanDerWaalsContact CA-O 3.29Å; M209-Y259 WeakPolarHBondContact CA-O 3.49Å; G210-Y259 PolarHBondContact N-O 2.83Å; G210-Y259 PolarHBondContact O-N 2.94Å; R212-Y259 HydrophobicContact CB-CE2 4.14Å; R212-Y259 PolarHBondContact NH2-OH 3.46Å; R212-Y259 VanDerWaalsContact NH2-OH 3.17Å; E257-Y259 HydrophobicContact CB-CE2 3.81Å; Y259-H272 HydrophobicContact CD1-CB 4.19Å; Y259-H272 AromaticContact CD1-CD2 3.71Å; Y259-H272 AromaticContact CD1-CG 3.99Å; Y259-H272 HydrophobicContact CD2-CB 4.35Å; Y259-H272 HydrophobicContact CE1-CB 3.67Å; Y259-H272 AromaticContact CE1-CD2 3.49Å; Y259-H272 VanDerWaalsContact CE1-CD2 3.49Å; Y259-H272 WeakPolarHBondContact CE1-CD2 3.26Å; Y259-H272 AromaticContact CE1-CG 3.39Å; Y259-H272 AromaticContact CE1-ND1 3.82Å; Y259-H272 AromaticContact CE1-NE2 3.98Å; Y259-H272 HydrophobicContact CE2-CB 3.87Å; Y259-H272 AromaticContact CZ-CG 3.7Å; Y259-T273 HydrophobicContact CD2-CG2 4.21Å
260	F	95.9	Very high	83.9	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	135	174.1	-60.6	-108	0	0	0	109.1	F5 A6 V188 A198 L208 M209 V287	F5-F260 CarbonylContact C-O 3.52Å; F5-F260 VanDerWaalsContact CA-O 3.24Å; F5-F260 WeakPolarHBondContact CA-O 3.5Å; A6-F260 HydrophobicContact CB-CB 3.98Å; A6-F260 HydrophobicContact CB-CD2 4.07Å; A6-F260 HydrophobicContact CB-CG 4.36Å; A6-F260 PolarHBondContact N-O 2.93Å; A6-F260 PolarHBondContact O-N 3.29Å; V188-F260 HydrophobicContact CG2-CB 4.03Å; V188-F260 HydrophobicContact CG2-CD1 4.22Å; V188-F260 HydrophobicContact CG2-CG 4.31Å; A198-F260 HydrophobicContact CB-CE2 3.64Å; A198-F260 HydrophobicContact CB-CZ 3.6Å; L208-F260 WeakPolarHBondContact O-CA 3.48Å; M209-F260 HydrophobicContact CE-CD1 4Å; M209-F260 HydrophobicContact CE-CD2 4.42Å; M209-F260 HydrophobicContact CE-CE1 3.29Å; M209-F260 HydrophobicContact CE-CE2 3.78Å; M209-F260 HydrophobicContact CE-CZ 3.17Å; M209-F260 HydrophobicContact CG-CD1 3.73Å; M209-F260 HydrophobicContact CG-CE1 3.86Å; M209-F260 HydrophobicContact CG-CG 4.39Å; M209-F260 HydrophobicContact SD-CD1 3.97Å; M209-F260 HydrophobicContact SD-CE1 3.43Å; M209-F260 WeakPolarHBondContact SD-CE1 3.43Å; M209-F260 HydrophobicContact SD-CZ 3.99Å; F260-V287 HydrophobicContact CE2-CG2 4.41Å; F260-V287 HydrophobicContact CZ-CG2 3.94Å
261	A	93.8	Very high	83.8	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	145.8	176.4	0	0	0	0	0	112.5	I4 F5 L208 A268 V269	I4-A261 VanDerWaalsContact O-CA 3.29Å; I4-A261 WeakPolarHBondContact O-CA 3.36Å; F5-A261 HydrophobicContact CD2-CB 4.41Å; L208-A261 HydrophobicContact CD1-CB 4.09Å; L208-A261 PolarHBondContact N-O 2.96Å; L208-A261 PolarHBondContact O-N 3.36Å; A261-A268 HydrophobicContact CB-CB 4.41Å; A261-V269 HydrophobicContact CB-CG2 3.61Å
262	S	88	Confident	84.1	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.126	C	C	.	.			trans	-93.6	4.8	176.8	61.4	0	0	0	0	114.7	I4 R33 N123 P206	I4-S262 PolarHBondContact N-OG 2.93Å; I4-S262 PolarHBondContact O-N 3.16Å; I4-S262 VanDerWaalsContact O-N 3.15Å; R33-S262 PolarHBondContact NH1-O 3.06Å; N123-S262 WeakPolarHBondContact ND2-CB 3.41Å; N123-S262 PolarHBondContact ND2-OG 3.02Å; P206-S262 VanDerWaalsContact O-CA 3.31Å; P206-S262 WeakPolarHBondContact O-CA 3.38Å; P206-S262 WeakPolarHBondContact O-CB 3.28Å
263	D	79.4	Confident	84.6	Confident	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.099	C	C	.	.			trans	-88	120.5	178.8	-177.7	21	0	0	0	111.1	L30 Y32 R33 L208 S265 A266 S267	L30-D263 HydrophobicContact CD2-CB 3.52Å; Y32-D263 PolarHBondContact OH-OD1 3.27Å; Y32-D263 VanDerWaalsContact OH-OD1 3.07Å; Y32-D263 PolarHBondContact OH-OD2 2.81Å; R33-D263 IonicContact CZ-OD1 2.86Å; R33-D263 IonicContact NE-OD1 3.45Å; R33-D263 PolarHBondContact NE-OD1 3.06Å; R33-D263 IonicContact NH2-OD1 2.71Å; R33-D263 PolarHBondContact NH2-OD1 3.42Å; L208-D263 WeakPolarHBondContact CD2-O 3.5Å; D263-S265 PolarHBondContact O-N 3.38Å; D263-S265 PolarHBondContact OD1-N 3.15Å; D263-S265 PolarHBondContact OD1-OG 3.34Å; D263-S265 PolarHBondContact OD2-OG 3Å; D263-A266 WeakPolarHBondContact O-CA 3.47Å; D263-A266 PolarHBondContact O-N 3.14Å; D263-S267 WeakPolarHBondContact OD2-CB 3.27Å; D263-S267 PolarHBondContact OD2-N 3.2Å; D263-S267 VanDerWaalsContact OD2-N 3.14Å; D263-S267 PolarHBondContact OD2-OG 2.93Å
264	A	55.6	Low	84.6	Confident	12 Å²	12	17.2 Å²	17.2	10%	0.099	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-23	175.1	0	0	0	0	0	112.6	P206 A266 T452	P206-A264 HydrophobicContact CB-CB 4.33Å; P206-A264 HydrophobicContact CG-CB 4.43Å; A264-A266 VanDerWaalsContact C-N 3.29Å; A264-T452 HydrophobicContact CB-CG2 3.47Å; A264-T452 VanDerWaalsContact CB-CG2 3.47Å
265	S	55.3	Low	84.7	Confident	26 Å²	26	14.5 Å²	14.5	18%	0.182	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	1.1	167.6	45.8	0	0	0	0	114.2	D263 S267 M314	D263-S265 PolarHBondContact O-N 3.38Å; D263-S265 PolarHBondContact OD1-N 3.15Å; D263-S265 PolarHBondContact OD1-OG 3.34Å; D263-S265 PolarHBondContact OD2-OG 3Å; S265-S267 PolarHBondContact O-N 2.65Å; S265-M314 WeakPolarHBondContact O-CE 3.48Å
266	A	63	Low	84.5	Confident	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.068	C	C	.	.			trans	51.9	29.2	179.8	0	0	0	0	0	114.4	L208 D263 A264 A268 V269 I270 L312	L208-A266 HydrophobicContact CD1-CB 4.45Å; L208-A266 HydrophobicContact CD2-CB 3.71Å; D263-A266 WeakPolarHBondContact O-CA 3.47Å; D263-A266 PolarHBondContact O-N 3.14Å; A264-A266 VanDerWaalsContact C-N 3.29Å; A266-A268 PolarHBondContact O-N 2.97Å; A266-A268 VanDerWaalsContact O-N 3.17Å; A266-V269 HydrophobicContact CB-CB 4.47Å; A266-V269 PolarHBondContact O-N 3.14Å; A266-I270 PolarHBondContact O-N 3.4Å; A266-L312 HydrophobicContact CB-CD1 3.37Å
267	S	68.8	Low	84.3	Confident	1 Å²	1	13.3 Å²	13.3	1%	0.007	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-33.3	-173	70.5	0	0	0	0	113.1	R29 D263 S265 V269 I319	R29-S267 PolarHBondContact O-OG 3.03Å; D263-S267 WeakPolarHBondContact OD2-CB 3.27Å; D263-S267 PolarHBondContact OD2-N 3.2Å; D263-S267 VanDerWaalsContact OD2-N 3.14Å; D263-S267 PolarHBondContact OD2-OG 2.93Å; S265-S267 PolarHBondContact O-N 2.65Å; S267-V269 VanDerWaalsContact C-N 3.34Å; S267-I319 WeakPolarHBondContact O-CD1 3.34Å
268	A	80.6	Confident	83.9	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-16.2	178.9	0	0	0	0	0	113.6	F5 R29 L30 A261 A266	F5-A268 HydrophobicContact CD2-CB 3.65Å; F5-A268 HydrophobicContact CE2-CB 3.89Å; F5-A268 WeakPolarHBondContact CE2-O 3.28Å; R29-A268 HydrophobicContact CB-CB 4.04Å; L30-A268 HydrophobicContact CD1-CB 4.21Å; L30-A268 HydrophobicContact CD2-CB 4.14Å; L30-A268 HydrophobicContact CG-CB 4.03Å; A261-A268 HydrophobicContact CB-CB 4.41Å; A266-A268 PolarHBondContact O-N 2.97Å; A266-A268 VanDerWaalsContact O-N 3.17Å
269	V	85.9	Confident	83.6	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-32.7	-174.2	179.8	0	0	0	0	111.8	L208 A261 A266 S267 E271 H272 T273 V276	L208-V269 HydrophobicContact CD1-CB 4.46Å; L208-V269 HydrophobicContact CD1-CG2 3.75Å; A261-V269 HydrophobicContact CB-CG2 3.61Å; A266-V269 HydrophobicContact CB-CB 4.47Å; A266-V269 PolarHBondContact O-N 3.14Å; S267-V269 VanDerWaalsContact C-N 3.34Å; V269-E271 PolarHBondContact O-N 2.81Å; V269-E271 VanDerWaalsContact O-N 3.1Å; V269-H272 WeakPolarHBondContact O-CA 3.27Å; V269-H272 PolarHBondContact O-N 2.88Å; V269-T273 CarbonylContact C-O 3.56Å; V269-T273 HydrophobicContact CG1-CG2 3.64Å; V269-T273 PolarHBondContact O-N 3.27Å; V269-T273 VanDerWaalsContact O-O 3.1Å; V269-V276 HydrophobicContact CG1-CG1 3.98Å
270	I	86.6	Confident	83.3	Confident	18 Å²	18	17.3 Å²	17.3	9%	0.092	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-28	-170.5	-162.5	61.9	0	0	0	114.6	A266 H272 T273 N274 L312 M314 L316 I319	A266-I270 PolarHBondContact O-N 3.4Å; I270-H272 PolarHBondContact O-N 3.11Å; I270-T273 WeakPolarHBondContact CA-O 3.44Å; I270-N274 HydrophobicContact CD1-CB 3.88Å; I270-L312 HydrophobicContact CD1-CB 4.02Å; I270-L312 HydrophobicContact CD1-CD1 4.05Å; I270-M314 HydrophobicContact CB-CE 3.57Å; I270-M314 HydrophobicContact CD1-CB 4.4Å; I270-M314 HydrophobicContact CD1-CE 4.32Å; I270-M314 WeakPolarHBondContact CD1-O 3.46Å; I270-M314 HydrophobicContact CG1-CB 4.49Å; I270-M314 HydrophobicContact CG1-CE 3.76Å; I270-M314 HydrophobicContact CG2-CE 3.68Å; I270-L316 HydrophobicContact CG2-CD1 4.18Å; I270-I319 HydrophobicContact CG2-CD1 3.49Å; I270-I319 VanDerWaalsContact CG2-CD1 3.49Å; I270-I319 HydrophobicContact CG2-CG1 4.37Å
271	E	85.8	Confident	83	Confident	32 Å²	32	19.7 Å²	19.7	15%	0.15	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-17.6	176.7	58.1	173	-124.5	0	0	113.4	K25 R29 V269 L316	K25-E271 WeakPolarHBondContact CD-OE1 3.41Å; K25-E271 VanDerWaalsContact CE-CD 3.44Å; K25-E271 WeakPolarHBondContact CE-OE1 3.25Å; K25-E271 WeakPolarHBondContact CE-OE2 3.47Å; K25-E271 WeakPolarHBondContact CG-OE1 3.46Å; K25-E271 IonicContact NZ-OE1 2.74Å; K25-E271 PolarHBondContact NZ-OE1 2.93Å; K25-E271 IonicContact NZ-OE2 2.67Å; K25-E271 PolarHBondContact NZ-OE2 3.12Å; R29-E271 IonicContact CZ-OE2 2.97Å; R29-E271 IonicContact NE-OE2 2.69Å; R29-E271 PolarHBondContact NE-OE2 3.12Å; R29-E271 VanDerWaalsContact NE-OE2 3.08Å; R29-E271 IonicContact NH2-OE2 3.46Å; R29-E271 PolarHBondContact NH2-OE2 3.47Å; V269-E271 PolarHBondContact O-N 2.81Å; V269-E271 VanDerWaalsContact O-N 3.1Å; E271-L316 HydrophobicContact CB-CD1 3.76Å; E271-L316 HydrophobicContact CB-CD2 4.35Å
272	H	90.2	Very high	82.8	Confident	25 Å²	25	20.8 Å²	20.8	12%	0.116	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-44.9	177.8	-57.6	-67.3	0	0	0	111.4	R212 Y259 V269 I270	R212-H272 WeakPolarHBondContact CD-O 3.42Å; Y259-H272 HydrophobicContact CD1-CB 4.19Å; Y259-H272 AromaticContact CD1-CD2 3.71Å; Y259-H272 AromaticContact CD1-CG 3.99Å; Y259-H272 HydrophobicContact CD2-CB 4.35Å; Y259-H272 HydrophobicContact CE1-CB 3.67Å; Y259-H272 AromaticContact CE1-CD2 3.49Å; Y259-H272 VanDerWaalsContact CE1-CD2 3.49Å; Y259-H272 WeakPolarHBondContact CE1-CD2 3.26Å; Y259-H272 AromaticContact CE1-CG 3.39Å; Y259-H272 AromaticContact CE1-ND1 3.82Å; Y259-H272 AromaticContact CE1-NE2 3.98Å; Y259-H272 HydrophobicContact CE2-CB 3.87Å; Y259-H272 AromaticContact CZ-CG 3.7Å; V269-H272 WeakPolarHBondContact O-CA 3.27Å; V269-H272 PolarHBondContact O-N 2.88Å; I270-H272 PolarHBondContact O-N 3.11Å
273	T	90.2	Very high	83	Confident	15 Å²	15	20.8 Å²	20.8	9%	0.092	11%	0.105	C	C	.	.			trans	-156.8	147	-177.5	-177.6	0	0	0	0	111.5	V211 Y259 V269 I270 R275	V211-T273 WeakPolarHBondContact O-CB 3.39Å; V211-T273 WeakPolarHBondContact O-CG2 3.09Å; V211-T273 PolarHBondContact O-OG1 3.23Å; Y259-T273 HydrophobicContact CD2-CG2 4.21Å; V269-T273 CarbonylContact C-O 3.56Å; V269-T273 HydrophobicContact CG1-CG2 3.64Å; V269-T273 PolarHBondContact O-N 3.27Å; V269-T273 VanDerWaalsContact O-O 3.1Å; I270-T273 WeakPolarHBondContact CA-O 3.44Å; T273-R275 PolarHBondContact OG1-N 3.28Å; T273-R275 VanDerWaalsContact OG1-N 3.11Å
274	N	88.6	Confident	83.8	Confident	74 Å²	74	20.8 Å²	20.8	40%	0.396	11%	0.105	S	C	.	.	S	Bend	trans	-95.9	-1.1	170.5	64.7	-0.6	0	0	0	112.8	I270 T311 L312	I270-N274 HydrophobicContact CD1-CB 3.88Å; N274-T311 HydrophobicContact CB-CG2 4.48Å; N274-T311 CarbonylContact O-C 3.58Å; N274-T311 WeakPolarHBondContact O-CA 3.47Å; N274-L312 HydrophobicContact CB-CB 4.43Å; N274-L312 PolarHBondContact O-N 3.17Å
275	R	90.3	Very high	85.7	Confident	66 Å²	66	20.2 Å²	20.2	25%	0.249	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	112	177.7	-63.8	-164.1	65.7	171.6	1.1	110.1	G210 V211 D220 T273 I309 Q310	G210-R275 WeakPolarHBondContact CA-O 3.41Å; V211-R275 HydrophobicContact CG1-CB 4.2Å; V211-R275 PolarHBondContact N-O 3.14Å; V211-R275 VanDerWaalsContact N-O 3.15Å; D220-R275 IonicContact OD1-CZ 2.79Å; D220-R275 IonicContact OD1-NH1 2.88Å; D220-R275 IonicContact OD1-NH2 2.75Å; D220-R275 PolarHBondContact OD1-NH2 3.23Å; T273-R275 PolarHBondContact OG1-N 3.28Å; T273-R275 VanDerWaalsContact OG1-N 3.11Å; R275-I309 HydrophobicContact CB-CG2 3.96Å; R275-Q310 WeakPolarHBondContact CA-O 3.31Å
276	V	90.8	Very high	87.6	Confident	0 Å²	0	19 Å²	19	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	153.6	-176.1	-57	0	0	0	0	113.1	L208 M209 V269 F278 Q310 L312	L208-V276 HydrophobicContact CD1-CG1 4.33Å; M209-V276 CarbonylContact O-C 3.52Å; M209-V276 VanDerWaalsContact O-CA 3.25Å; M209-V276 WeakPolarHBondContact O-CA 3.42Å; V269-V276 HydrophobicContact CG1-CG1 3.98Å; V276-F278 HydrophobicContact CG2-CD2 4.17Å; V276-F278 HydrophobicContact CG2-CE2 3.58Å; V276-F278 HydrophobicContact CG2-CZ 4.01Å; V276-Q310 PolarHBondContact N-O 3.47Å; V276-Q310 PolarHBondContact O-N 3.46Å; V276-L312 HydrophobicContact CB-CD1 4.44Å; V276-L312 HydrophobicContact CG1-CD1 3.63Å; V276-L312 HydrophobicContact CG1-CG 4.18Å; V276-L312 HydrophobicContact CG2-CD1 3.93Å; V276-L312 HydrophobicContact CG2-CD2 3.73Å; V276-L312 HydrophobicContact CG2-CG 3.67Å
277	I	91.5	Very high	89.1	Confident	0 Å²	0	19 Å²	19	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	117.1	174.3	-58.9	149.3	0	0	0	106.9	L208 M209 I222 L248 L279 L292 I294 R307 I309	L208-I277 CarbonylContact C-O 3.32Å; L208-I277 VanDerWaalsContact CA-O 3.26Å; L208-I277 WeakPolarHBondContact CA-O 3.4Å; L208-I277 WeakPolarHBondContact CB-O 3.3Å; M209-I277 HydrophobicContact CB-CB 4.45Å; M209-I277 PolarHBondContact N-O 3.34Å; M209-I277 PolarHBondContact O-N 3.47Å; I222-I277 HydrophobicContact CD1-CD1 3.54Å; I222-I277 HydrophobicContact CD1-CG1 4.3Å; L248-I277 HydrophobicContact CD2-CD1 3.99Å; I277-L279 HydrophobicContact CG2-CD2 4.43Å; I277-L292 HydrophobicContact CD1-CD2 3.55Å; I277-I294 HydrophobicContact CG2-CD1 4.14Å; I277-R307 HydrophobicContact CG2-CB 3.82Å; I277-I309 HydrophobicContact CD1-CG1 4.22Å; I277-I309 HydrophobicContact CG1-CB 4.46Å; I277-I309 HydrophobicContact CG1-CG1 3.83Å
278	F	89.5	Confident	90.3	Very high	39 Å²	39	20.1 Å²	20.1	17%	0.171	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	124.1	173.3	-69.2	-84.4	0	0	0	109.4	L208 V276 L312	L208-F278 HydrophobicContact CB-CD1 4.01Å; L208-F278 HydrophobicContact CB-CE1 4.34Å; L208-F278 HydrophobicContact CD2-CD1 4.09Å; L208-F278 HydrophobicContact CD2-CE1 3.57Å; L208-F278 HydrophobicContact CD2-CZ 4.19Å; V276-F278 HydrophobicContact CG2-CD2 4.17Å; V276-F278 HydrophobicContact CG2-CE2 3.58Å; V276-F278 HydrophobicContact CG2-CZ 4.01Å; F278-L312 HydrophobicContact CE2-CD2 4.28Å; F278-L312 HydrophobicContact CZ-CD2 4.12Å
279	L	90.5	Very high	90.8	Very high	1 Å²	1	27 Å²	27	1%	0.005	13%	0.129	C	C	.	.			trans	-80	150	173.9	-57.2	-178	0	0	0	110	R202 L207 I277 D283 A285 I294	R202-L279 VanDerWaalsContact CD-O 3.3Å; R202-L279 WeakPolarHBondContact CD-O 3.42Å; R202-L279 HydrophobicContact CG-CB 4Å; L207-L279 HydrophobicContact CB-CD1 4.36Å; L207-L279 HydrophobicContact CD2-CD1 3.86Å; L207-L279 HydrophobicContact CG-CD1 3.99Å; L207-L279 WeakPolarHBondContact O-CB 3.4Å; L207-L279 PolarHBondContact O-N 2.93Å; L207-L279 VanDerWaalsContact O-N 3.13Å; I277-L279 HydrophobicContact CG2-CD2 4.43Å; L279-D283 HydrophobicContact CB-CB 4.3Å; L279-D283 HydrophobicContact CD2-CB 4.46Å; L279-A285 HydrophobicContact CD1-CB 3.88Å; L279-A285 HydrophobicContact CD2-CB 3.91Å; L279-I294 HydrophobicContact CD2-CD1 4.12Å
280	E	89.3	Confident	91	Very high	54 Å²	54	27.1 Å²	27.1	25%	0.252	13%	0.13	S	C	.	.			trans	-104.8	170.7	170.8	-68.2	-178.6	176.8	0	0	111	R202 D282 D283 R296 R307	R202-E280 VanDerWaalsContact CG-O 3.24Å; R202-E280 WeakPolarHBondContact CG-O 3.36Å; E280-D282 PolarHBondContact O-N 2.91Å; E280-D283 PolarHBondContact N-OD2 3.21Å; E280-D283 VanDerWaalsContact O-CB 3.3Å; E280-D283 WeakPolarHBondContact O-CB 3.42Å; E280-D283 PolarHBondContact O-N 3.09Å; E280-D283 VanDerWaalsContact O-N 3.16Å; E280-R296 VanDerWaalsContact CB-NH2 3.35Å; E280-R296 IonicContact OE2-NH1 3.68Å; E280-R296 IonicContact OE2-NH2 3.63Å; E280-R296 PolarHBondContact OE2-NH2 2.75Å; E280-R296 VanDerWaalsContact OE2-NH2 3.16Å; E280-R307 VanDerWaalsContact CD-CZ 3.44Å; E280-R307 IonicContact OE1-CZ 3.33Å; E280-R307 IonicContact OE1-NH1 3.52Å; E280-R307 IonicContact OE2-CZ 3.91Å; E280-R307 IonicContact OE2-NE 2.69Å; E280-R307 IonicContact OE2-NH1 2.81Å; E280-R307 PolarHBondContact OE2-NH1 2.99Å; E280-R307 IonicContact OE2-NH2 2.85Å; E280-R307 PolarHBondContact OE2-NH2 2.82Å
281	D	88.6	Confident	91.3	Very high	50 Å²	50	29.7 Å²	29.7	27%	0.267	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	137.3	178.2	-73.6	-0.2	0	0	0	111.5	R202 R203 G204 D283 R296	R202-D281 IonicContact CZ-OD1 3.12Å; R202-D281 VanDerWaalsContact CZ-OD1 3.26Å; R202-D281 IonicContact NE-OD1 3.27Å; R202-D281 PolarHBondContact NE-OD1 2.82Å; R202-D281 IonicContact NH2-OD1 3.76Å; R202-D281 PolarHBondContact NH2-OD1 2.95Å; R202-D281 WeakPolarHBondContact O-CA 3.38Å; R203-D281 WeakPolarHBondContact CA-OD1 3.49Å; G204-D281 VanDerWaalsContact N-CG 3.27Å; G204-D281 PolarHBondContact N-OD1 3.23Å; G204-D281 PolarHBondContact N-OD2 3.42Å; D281-D283 PolarHBondContact O-N 3.46Å; D281-R296 PolarHBondContact O-NH2 3.04Å
282	D	90.3	Very high	91.7	Very high	23 Å²	23	28.2 Å²	28.2	12%	0.123	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	9.6	-174.7	-54.9	-45.2	0	0	0	115.5	R202 R203 E280 R300	R202-D282 PolarHBondContact O-N 3.44Å; R203-D282 IonicContact CZ-OD1 3.18Å; R203-D282 VanDerWaalsContact CZ-OD1 3.22Å; R203-D282 IonicContact NE-OD1 3.82Å; R203-D282 PolarHBondContact NE-OD1 3.43Å; R203-D282 IonicContact NH2-OD1 3.14Å; R203-D282 PolarHBondContact NH2-OD1 2.89Å; E280-D282 PolarHBondContact O-N 2.91Å; D282-R300 IonicContact OD2-CZ 3.56Å; D282-R300 IonicContact OD2-NH2 2.96Å; D282-R300 PolarHBondContact OD2-NH2 2.94Å
283	D	92.9	Very high	91.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.127	C	C	.	.			trans	-70.8	134.2	167.3	-69.6	-6.1	0	0	0	110.3	T201 L279 E280 D281 I294 R296 R307	T201-D283 VanDerWaalsContact CA-O 3.24Å; T201-D283 WeakPolarHBondContact CA-O 3.35Å; T201-D283 VanDerWaalsContact CB-O 3.24Å; T201-D283 WeakPolarHBondContact CB-O 3.09Å; T201-D283 PolarHBondContact OG1-O 3.46Å; L279-D283 HydrophobicContact CB-CB 4.3Å; L279-D283 HydrophobicContact CD2-CB 4.46Å; E280-D283 PolarHBondContact N-OD2 3.21Å; E280-D283 VanDerWaalsContact O-CB 3.3Å; E280-D283 WeakPolarHBondContact O-CB 3.42Å; E280-D283 PolarHBondContact O-N 3.09Å; E280-D283 VanDerWaalsContact O-N 3.16Å; D281-D283 PolarHBondContact O-N 3.46Å; D283-I294 HydrophobicContact CB-CG2 4.08Å; D283-R296 IonicContact OD1-CZ 3.8Å; D283-R296 VanDerWaalsContact OD1-CZ 3.25Å; D283-R296 IonicContact OD1-NE 2.79Å; D283-R296 PolarHBondContact OD1-NE 2.96Å; D283-R296 VanDerWaalsContact OD1-NE 3.08Å; D283-R296 IonicContact OD1-NH2 2.85Å; D283-R296 PolarHBondContact OD1-NH2 2.9Å; D283-R307 IonicContact OD1-CZ 3.9Å; D283-R307 IonicContact OD1-NE 3.18Å; D283-R307 IonicContact OD1-NH2 3.21Å; D283-R307 PolarHBondContact OD1-NH2 3.43Å; D283-R307 IonicContact OD2-CZ 3.54Å; D283-R307 IonicContact OD2-NE 3.57Å; D283-R307 PolarHBondContact OD2-NE 3.02Å; D283-R307 IonicContact OD2-NH2 2.7Å; D283-R307 PolarHBondContact OD2-NH2 3.27Å; D283-R307 VanDerWaalsContact OD2-NH2 3.09Å
284	V	94.8	Very high	92	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	98.2	170.6	-176.6	0	0	0	0	107.7	A171 V174 E175 I178 I199 H295	A171-V284 HydrophobicContact CB-CG1 4.45Å; V174-V284 HydrophobicContact CG1-CG1 4.5Å; E175-V284 HydrophobicContact CG-CG2 4.08Å; I178-V284 HydrophobicContact CD1-CG2 3.57Å; I199-V284 HydrophobicContact CG2-CG1 3.67Å; V284-H295 HydrophobicContact CB-CB 4.37Å; V284-H295 PolarHBondContact N-O 3.36Å; V284-H295 PolarHBondContact O-N 2.9Å
285	A	95.6	Very high	92.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	125.9	176.4	0	0	0	0	0	109.9	I199 G200 M209 L279 L292 S293 I294	I199-A285 CarbonylContact C-O 3.51Å; I199-A285 WeakPolarHBondContact CA-O 3.35Å; G200-A285 PolarHBondContact N-O 3.16Å; G200-A285 PolarHBondContact O-N 3.14Å; M209-A285 HydrophobicContact SD-CB 3.52Å; M209-A285 VanDerWaalsContact SD-CB 3.52Å; L279-A285 HydrophobicContact CD1-CB 3.88Å; L279-A285 HydrophobicContact CD2-CB 3.91Å; A285-L292 HydrophobicContact CB-CD1 4.16Å; A285-S293 CarbonylContact C-O 3.56Å; A285-S293 WeakPolarHBondContact CA-O 3.31Å; A285-I294 HydrophobicContact CB-CG1 4.36Å
286	A	95.7	Very high	92	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	123.3	-174.5	0	0	0	0	0	110.5	A171 I199 M288 L292 S293	A171-A286 HydrophobicContact CB-CB 4.12Å; I199-A286 HydrophobicContact CD1-CB 3.51Å; A286-M288 HydrophobicContact CB-CE 3.77Å; A286-M288 HydrophobicContact CB-SD 4.32Å; A286-L292 WeakPolarHBondContact O-CA 3.42Å; A286-S293 PolarHBondContact N-O 2.85Å; A286-S293 PolarHBondContact O-N 2.88Å; A286-S293 PolarHBondContact O-OG 3.08Å
287	V	95.9	Very high	91.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	111.3	170	-176	0	0	0	0	108.4	L8 E197 A198 M209 Y258 F260 R291 L292	L8-V287 HydrophobicContact CD1-CB 3.96Å; L8-V287 HydrophobicContact CD1-CG1 3.71Å; E197-V287 VanDerWaalsContact CA-O 3.31Å; E197-V287 WeakPolarHBondContact CA-O 3.5Å; A198-V287 HydrophobicContact CB-CB 4.42Å; A198-V287 PolarHBondContact N-O 2.83Å; A198-V287 PolarHBondContact O-N 2.79Å; M209-V287 HydrophobicContact CE-CG2 3.91Å; Y258-V287 HydrophobicContact CD2-CG1 3.82Å; Y258-V287 HydrophobicContact CD2-CG2 4.17Å; Y258-V287 HydrophobicContact CE2-CG1 3.72Å; Y258-V287 HydrophobicContact CE2-CG2 4.43Å; Y258-V287 HydrophobicContact CG-CG2 4.22Å; F260-V287 HydrophobicContact CE2-CG2 4.41Å; F260-V287 HydrophobicContact CZ-CG2 3.94Å; V287-R291 WeakPolarHBondContact CA-O 3.1Å; V287-L292 HydrophobicContact CG2-CB 4.32Å; V287-L292 HydrophobicContact CG2-CD1 3.92Å
288	M	93.2	Very high	90.9	Very high	26 Å²	26	29.7 Å²	29.7	13%	0.128	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	128.7	-179.5	-70.3	160.8	-175.4	0	0	108.7	N169 F170 A171 E197 I199 A286 G290 R291	N169-M288 WeakPolarHBondContact OD1-CE 3.34Å; N169-M288 PolarHBondContact OD1-SD 3.06Å; F170-M288 HydrophobicContact CB-CE 4.28Å; A171-M288 HydrophobicContact CB-CE 3.89Å; E197-M288 HydrophobicContact CG-CG 4.26Å; I199-M288 HydrophobicContact CD1-CE 3.75Å; A286-M288 HydrophobicContact CB-CE 3.77Å; A286-M288 HydrophobicContact CB-SD 4.32Å; M288-G290 PolarHBondContact O-N 2.79Å; M288-G290 VanDerWaalsContact O-N 3.13Å; M288-R291 PolarHBondContact N-O 3.27Å; M288-R291 WeakPolarHBondContact O-CA 3.19Å; M288-R291 WeakPolarHBondContact O-CB 3.37Å; M288-R291 PolarHBondContact O-N 2.84Å
289	E	90.5	Very high	90.1	Very high	144 Å²	144	36.6 Å²	36.6	67%	0.673	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	37.7	-175.8	-55.6	-177.7	168.7	0	0	113	Y10 R291	Y10-E289 WeakPolarHBondContact CE1-O 3.44Å; Y10-E289 WeakPolarHBondContact OH-CA 3.41Å; Y10-E289 PolarHBondContact OH-O 2.81Å; E289-R291 PolarHBondContact O-N 3.06Å
290	G	89.9	Confident	89.1	Confident	2 Å²	2	43.7 Å²	43.7	2%	0.021	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	2.3	-177.4	0	0	0	0	0	115.3	Y10 Y258 M288	Y10-G290 VanDerWaalsContact CD1-CA 3.43Å; Y258-G290 WeakPolarHBondContact CE2-O 3.4Å; Y258-G290 PolarHBondContact OH-O 3.19Å; M288-G290 PolarHBondContact O-N 2.79Å; M288-G290 VanDerWaalsContact O-N 3.13Å
291	R	93.7	Very high	87.7	Confident	73 Å²	73	48.8 Å²	48.8	28%	0.275	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	127.4	179.5	-54.5	178	178.6	-94.5	-6.6	110.2	C247 L248 F249 V287 M288 E289	C247-R291 HydrophobicContact CB-CB 4.08Å; L248-R291 WeakPolarHBondContact O-CA 3.26Å; F249-R291 HydrophobicContact CB-CB 4.41Å; F249-R291 HydrophobicContact CB-CG 3.96Å; F249-R291 HydrophobicContact CD1-CG 4.41Å; F249-R291 VanDerWaalsContact CE1-NH1 3.3Å; F249-R291 HydrophobicContact CG-CG 4.3Å; V287-R291 WeakPolarHBondContact CA-O 3.1Å; M288-R291 PolarHBondContact N-O 3.27Å; M288-R291 WeakPolarHBondContact O-CA 3.19Å; M288-R291 WeakPolarHBondContact O-CB 3.37Å; M288-R291 PolarHBondContact O-N 2.84Å; E289-R291 PolarHBondContact O-N 3.06Å
292	L	94.4	Very high	86.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.2	176.3	170.7	63.5	0	0	0	110.9	M209 I222 C247 L248 Y258 I277 A285 A286 V287	M209-L292 HydrophobicContact CE-CD1 3.52Å; M209-L292 HydrophobicContact CE-CD2 3.77Å; M209-L292 HydrophobicContact CE-CG 4.25Å; M209-L292 HydrophobicContact SD-CD1 3.71Å; M209-L292 HydrophobicContact SD-CD2 4.1Å; I222-L292 HydrophobicContact CD1-CD2 3.88Å; I222-L292 HydrophobicContact CD1-CG 4.21Å; C247-L292 CarbonylContact C-O 3.52Å; C247-L292 VanDerWaalsContact CA-O 3.29Å; C247-L292 WeakPolarHBondContact CA-O 3.36Å; L248-L292 HydrophobicContact CB-CB 4.17Å; L248-L292 HydrophobicContact CD2-CD2 4.21Å; L248-L292 PolarHBondContact N-O 3.09Å; L248-L292 PolarHBondContact O-N 3.5Å; Y258-L292 HydrophobicContact CD1-CD2 4.42Å; Y258-L292 HydrophobicContact CE1-CB 3.82Å; Y258-L292 HydrophobicContact CE1-CD2 4.11Å; I277-L292 HydrophobicContact CD1-CD2 3.55Å; A285-L292 HydrophobicContact CB-CD1 4.16Å; A286-L292 WeakPolarHBondContact O-CA 3.42Å; V287-L292 HydrophobicContact CG2-CB 4.32Å; V287-L292 HydrophobicContact CG2-CD1 3.92Å
293	S	94	Very high	85.3	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.014	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	154.1	173.3	59.6	0	0	0	0	110.9	A285 A286 H295	A285-S293 CarbonylContact C-O 3.56Å; A285-S293 WeakPolarHBondContact CA-O 3.31Å; A286-S293 PolarHBondContact N-O 2.85Å; A286-S293 PolarHBondContact O-N 2.88Å; A286-S293 PolarHBondContact O-OG 3.08Å; S293-H295 PolarHBondContact OG-NE2 2.87Å
294	I	93.1	Very high	83.9	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122.7	179.5	-59.5	178.2	0	0	0	109.3	I222 V224 L225 I277 L279 D283 A285 R307	I222-I294 HydrophobicContact CB-CD1 4.27Å; I222-I294 HydrophobicContact CD1-CD1 4.26Å; I222-I294 HydrophobicContact CG2-CB 4.38Å; I222-I294 HydrophobicContact CG2-CD1 4.11Å; I222-I294 HydrophobicContact CG2-CG1 4.05Å; V224-I294 HydrophobicContact CG2-CG2 4.43Å; L225-I294 PolarHBondContact N-O 3.09Å; I277-I294 HydrophobicContact CG2-CD1 4.14Å; L279-I294 HydrophobicContact CD2-CD1 4.12Å; D283-I294 HydrophobicContact CB-CG2 4.08Å; A285-I294 HydrophobicContact CB-CG1 4.36Å; I294-R307 HydrophobicContact CD1-CB 3.82Å; I294-R307 HydrophobicContact CD1-CG 3.61Å
295	H	90.3	Very high	83	Confident	10 Å²	10	62.3 Å²	62.3	5%	0.046	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	148.9	-177.5	-55	-92.4	0	0	0	110.8	L225 V284 S293	L225-H295 CarbonylContact O-C 3.52Å; L225-H295 WeakPolarHBondContact O-CA 3.26Å; V284-H295 HydrophobicContact CB-CB 4.37Å; V284-H295 PolarHBondContact N-O 3.36Å; V284-H295 PolarHBondContact O-N 2.9Å; S293-H295 PolarHBondContact OG-NE2 2.87Å
296	R	87.8	Confident	82.5	Confident	8 Å²	8	63.5 Å²	63.5	3%	0.03	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	139.9	172.4	-169.7	177.8	-80.9	-170	-7.8	110.5	V224 L225 Y226 E280 D281 D283 K298 D303	V224-R296 HydrophobicContact CG1-CB 3.67Å; L225-R296 PolarHBondContact O-N 3.09Å; Y226-R296 WeakPolarHBondContact CA-O 3.43Å; Y226-R296 HydrophobicContact CD1-CB 4.2Å; Y226-R296 HydrophobicContact CE1-CB 4.01Å; Y226-R296 HydrophobicContact CE1-CG 4.28Å; E280-R296 VanDerWaalsContact CB-NH2 3.35Å; E280-R296 IonicContact OE2-NH1 3.68Å; E280-R296 IonicContact OE2-NH2 3.63Å; E280-R296 PolarHBondContact OE2-NH2 2.75Å; E280-R296 VanDerWaalsContact OE2-NH2 3.16Å; D281-R296 PolarHBondContact O-NH2 3.04Å; D283-R296 IonicContact OD1-CZ 3.8Å; D283-R296 VanDerWaalsContact OD1-CZ 3.25Å; D283-R296 IonicContact OD1-NE 2.79Å; D283-R296 PolarHBondContact OD1-NE 2.96Å; D283-R296 VanDerWaalsContact OD1-NE 3.08Å; D283-R296 IonicContact OD1-NH2 2.85Å; D283-R296 PolarHBondContact OD1-NH2 2.9Å; R296-K298 VanDerWaalsContact CD-O 3.28Å; R296-K298 WeakPolarHBondContact CD-O 3.31Å; R296-K298 WeakPolarHBondContact CG-O 3.29Å; R296-D303 IonicContact CZ-OD2 3.53Å; R296-D303 IonicContact NH1-OD1 3.98Å; R296-D303 PolarHBondContact NH1-OD1 3.31Å; R296-D303 IonicContact NH1-OD2 3.77Å; R296-D303 PolarHBondContact NH1-OD2 3.05Å
297	I	80.8	Confident	82.2	Confident	37 Å²	37	64 Å²	64	19%	0.19	32%	0.317	C	S	.	.	S	Bend	trans	-74.9	-39.5	-174.1	-53.9	179.8	0	0	0	111.8	E175 I178 Q179	E175-I297 HydrophobicContact CB-CD1 4.03Å; E175-I297 HydrophobicContact CB-CG1 4.44Å; E175-I297 HydrophobicContact CG-CD1 4.21Å; E175-I297 HydrophobicContact CG-CG1 4.14Å; I178-I297 HydrophobicContact CD1-CD1 4.41Å; I178-I297 HydrophobicContact CG1-CD1 4.45Å; Q179-I297 HydrophobicContact CG-CD1 3.72Å
298	K	77.3	Confident	81.8	Confident	154 Å²	154	65.5 Å²	65.5	67%	0.67	33%	0.33	S	S	*	.	S	Bend	trans	-131.6	140.7	-177.2	-65.7	-177.6	-177.7	175.6	0	110.4	R296	R296-K298 VanDerWaalsContact CD-O 3.28Å; R296-K298 WeakPolarHBondContact CD-O 3.31Å; R296-K298 WeakPolarHBondContact CG-O 3.29Å
299	R	74.5	Confident	81.6	Confident	185 Å²	185	65.1 Å²	65.1	70%	0.698	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-84.2	125.2	168.4	-170.2	174.2	-178.7	178.7	0.8	109.5	Y226	Y226-R299 HydrophobicContact CD1-CB 3.92Å; Y226-R299 HydrophobicContact CE1-CB 3.59Å; Y226-R299 HydrophobicContact CE1-CG 4Å
300	R	69	Low	81.5	Confident	149 Å²	149	62.4 Å²	62.4	56%	0.562	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-99.3	155	170.9	-55.2	-177.7	-175.3	-163.9	3.7	109.9	D282 G302 D303	D282-R300 IonicContact OD2-CZ 3.56Å; D282-R300 IonicContact OD2-NH2 2.96Å; D282-R300 PolarHBondContact OD2-NH2 2.94Å; R300-G302 PolarHBondContact O-N 3.2Å; R300-D303 WeakPolarHBondContact CB-OD2 3.29Å; R300-D303 PolarHBondContact N-OD2 3.26Å; R300-D303 WeakPolarHBondContact O-CB 3.44Å; R300-D303 PolarHBondContact O-N 2.83Å
301	V	59.6	Low	81.4	Confident	161 Å²	161	66.7 Å²	66.7	98%	0.976	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	123.8	175.4	-179.8	0	0	0	0	108.1
302	G	60.6	Low	80.8	Confident	74 Å²	74	64.8 Å²	64.8	76%	0.763	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.4	-5.4	-176.9	0	0	0	0	0	115.2	R300 Y304	R300-G302 PolarHBondContact O-N 3.2Å; G302-Y304 PolarHBondContact O-N 3.48Å
303	D	67.1	Low	79.8	Confident	29 Å²	29	74 Å²	74	16%	0.155	38%	0.38	C	S	.	.			trans	-64.2	126.3	176	-75.6	-15.7	0	0	0	111.4	R296 R300	R296-D303 IonicContact CZ-OD2 3.53Å; R296-D303 IonicContact NH1-OD1 3.98Å; R296-D303 PolarHBondContact NH1-OD1 3.31Å; R296-D303 IonicContact NH1-OD2 3.77Å; R296-D303 PolarHBondContact NH1-OD2 3.05Å; R300-D303 WeakPolarHBondContact CB-OD2 3.29Å; R300-D303 PolarHBondContact N-OD2 3.26Å; R300-D303 WeakPolarHBondContact O-CB 3.44Å; R300-D303 PolarHBondContact O-N 2.83Å
304	Y	63.9	Low	78.8	Confident	174 Å²	174	75.3 Å²	75.3	68%	0.682	39%	0.385	S	S	*	.			trans	-65.7	132.2	170.3	-104.9	-95.4	0	0	0	109.7	G302 A306 R307	G302-Y304 PolarHBondContact O-N 3.48Å; Y304-A306 PolarHBondContact O-N 2.96Å; Y304-A306 VanDerWaalsContact O-N 3.14Å; Y304-R307 PolarHBondContact O-NH1 2.79Å; Y304-R307 VanDerWaalsContact O-NH1 3.14Å
305	P	75.9	Confident	78	Confident	80 Å²	80	81.1 Å²	81.1	52%	0.519	41%	0.413	S	S	.	.	S	Bend	trans	-72.6	-6.6	-173.5	30.3	-36.5	0	0	0	113.5	V224	V224-P305 PolarHBondContact N-O 2.63Å
306	A	84.7	Confident	77.4	Confident	26 Å²	26	83.7 Å²	83.7	22%	0.215	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	160	-178.4	0	0	0	0	0	111.4	H221 I222 Y304	H221-A306 HydrophobicContact CB-CB 4.29Å; I222-A306 CarbonylContact O-C 3.55Å; I222-A306 WeakPolarHBondContact O-CA 3.32Å; I222-A306 VanDerWaalsContact O-CB 3.31Å; I222-A306 WeakPolarHBondContact O-CB 3.29Å; Y304-A306 PolarHBondContact O-N 2.96Å; Y304-A306 VanDerWaalsContact O-N 3.14Å
307	R	89.6	Confident	77	Confident	9 Å²	9	90.2 Å²	90.2	3%	0.034	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	123	167.3	-60.8	-65	171.5	-92.7	-10.2	109.4	H221 I222 V224 I277 E280 D283 I294 Y304	H221-R307 WeakPolarHBondContact CA-O 3.23Å; I222-R307 PolarHBondContact N-O 3.08Å; I222-R307 PolarHBondContact O-N 3.19Å; V224-R307 HydrophobicContact CG2-CG 4.47Å; I277-R307 HydrophobicContact CG2-CB 3.82Å; E280-R307 VanDerWaalsContact CD-CZ 3.44Å; E280-R307 IonicContact OE1-CZ 3.33Å; E280-R307 IonicContact OE1-NH1 3.52Å; E280-R307 IonicContact OE2-CZ 3.91Å; E280-R307 IonicContact OE2-NE 2.69Å; E280-R307 IonicContact OE2-NH1 2.81Å; E280-R307 PolarHBondContact OE2-NH1 2.99Å; E280-R307 IonicContact OE2-NH2 2.85Å; E280-R307 PolarHBondContact OE2-NH2 2.82Å; D283-R307 IonicContact OD1-CZ 3.9Å; D283-R307 IonicContact OD1-NE 3.18Å; D283-R307 IonicContact OD1-NH2 3.21Å; D283-R307 PolarHBondContact OD1-NH2 3.43Å; D283-R307 IonicContact OD2-CZ 3.54Å; D283-R307 IonicContact OD2-NE 3.57Å; D283-R307 PolarHBondContact OD2-NE 3.02Å; D283-R307 IonicContact OD2-NH2 2.7Å; D283-R307 PolarHBondContact OD2-NH2 3.27Å; D283-R307 VanDerWaalsContact OD2-NH2 3.09Å; I294-R307 HydrophobicContact CD1-CB 3.82Å; I294-R307 HydrophobicContact CD1-CG 3.61Å; Y304-R307 PolarHBondContact O-NH1 2.79Å; Y304-R307 VanDerWaalsContact O-NH1 3.14Å
308	A	88.5	Confident	76.9	Confident	33 Å²	33	91.5 Å²	91.5	27%	0.273	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	140.5	176.8	0	0	0	0	0	110.7	Q310	A308-Q310 HydrophobicContact CB-CG 4.5Å; A308-Q310 PolarHBondContact O-N 3.31Å
309	I	89.4	Confident	77.1	Confident	17 Å²	17	84.3 Å²	84.3	9%	0.087	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	113.6	165.1	-53.9	-179.4	0	0	0	107.2	L217 T219 D220 L248 R275 I277	L217-I309 HydrophobicContact CD1-CD1 4.48Å; T219-I309 VanDerWaalsContact O-CD1 3.24Å; T219-I309 WeakPolarHBondContact O-CD1 3.32Å; D220-I309 PolarHBondContact O-N 3.08Å; L248-I309 HydrophobicContact CD1-CD1 3.62Å; L248-I309 HydrophobicContact CD2-CD1 3.69Å; L248-I309 HydrophobicContact CG-CD1 4.3Å; R275-I309 HydrophobicContact CB-CG2 3.96Å; I277-I309 HydrophobicContact CD1-CG1 4.22Å; I277-I309 HydrophobicContact CG1-CB 4.46Å; I277-I309 HydrophobicContact CG1-CG1 3.83Å
310	Q	87.7	Confident	77.5	Confident	87 Å²	87	79.5 Å²	79.5	41%	0.407	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	142.2	-177.9	-60.2	-179.2	16.5	0	0	110.2	R275 V276 A308	R275-Q310 WeakPolarHBondContact CA-O 3.31Å; V276-Q310 PolarHBondContact N-O 3.47Å; V276-Q310 PolarHBondContact O-N 3.46Å; A308-Q310 HydrophobicContact CB-CG 4.5Å; A308-Q310 PolarHBondContact O-N 3.31Å
311	T	87	Confident	78.3	Confident	93 Å²	93	75.9 Å²	75.9	57%	0.571	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	116.1	170.6	-55.5	0	0	0	0	109	N274	N274-T311 HydrophobicContact CB-CG2 4.48Å; N274-T311 CarbonylContact O-C 3.58Å; N274-T311 WeakPolarHBondContact O-CA 3.47Å
312	L	81.9	Confident	79.7	Confident	32 Å²	32	71.1 Å²	71.1	17%	0.168	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-67.9	133.4	176.1	-64.4	174.8	0	0	0	110.6	A266 I270 N274 V276 F278 M314	A266-L312 HydrophobicContact CB-CD1 3.37Å; I270-L312 HydrophobicContact CD1-CB 4.02Å; I270-L312 HydrophobicContact CD1-CD1 4.05Å; N274-L312 HydrophobicContact CB-CB 4.43Å; N274-L312 PolarHBondContact O-N 3.17Å; V276-L312 HydrophobicContact CB-CD1 4.44Å; V276-L312 HydrophobicContact CG1-CD1 3.63Å; V276-L312 HydrophobicContact CG1-CG 4.18Å; V276-L312 HydrophobicContact CG2-CD1 3.93Å; V276-L312 HydrophobicContact CG2-CD2 3.73Å; V276-L312 HydrophobicContact CG2-CG 3.67Å; F278-L312 HydrophobicContact CE2-CD2 4.28Å; F278-L312 HydrophobicContact CZ-CD2 4.12Å; L312-M314 PolarHBondContact O-N 2.85Å
313	Q	74.4	Confident	81.1	Confident	195 Å²	195	75.9 Å²	75.9	91%	0.911	40%	0.398	S	S	*	.			trans	-86.6	16.1	172.9	-62.9	-174.5	-16.7	0	0	112.8
314	M	72.7	Confident	82.4	Confident	28 Å²	28	78.5 Å²	78.5	14%	0.138	41%	0.406	C	S	.	.			trans	-92.8	139.5	-176.9	-167.8	177.7	64.3	0	0	110.2	S265 I270 L312 I319 P471	S265-M314 WeakPolarHBondContact O-CE 3.48Å; I270-M314 HydrophobicContact CB-CE 3.57Å; I270-M314 HydrophobicContact CD1-CB 4.4Å; I270-M314 HydrophobicContact CD1-CE 4.32Å; I270-M314 WeakPolarHBondContact CD1-O 3.46Å; I270-M314 HydrophobicContact CG1-CB 4.49Å; I270-M314 HydrophobicContact CG1-CE 3.76Å; I270-M314 HydrophobicContact CG2-CE 3.68Å; L312-M314 PolarHBondContact O-N 2.85Å; M314-I319 HydrophobicContact CE-CG2 4.44Å; M314-I319 HydrophobicContact SD-CG2 4.11Å; M314-P471 HydrophobicContact CG-CG 3.86Å; M314-P471 HydrophobicContact SD-CB 4.39Å; M314-P471 HydrophobicContact SD-CG 3.31Å; M314-P471 WeakPolarHBondContact SD-CG 3.33Å
315	E	76.3	Confident	83.6	Confident	122 Å²	122	74.1 Å²	74.1	57%	0.57	40%	0.401	S	S	*	.			trans	-104.9	146	177	-66.7	-179.2	176.4	0	0	111.1	Q317 Q318	E315-Q317 PolarHBondContact O-N 3.03Å; E315-Q317 VanDerWaalsContact O-N 3.16Å; E315-Q318 HydrophobicContact CB-CG 4.31Å; E315-Q318 WeakPolarHBondContact O-CB 3.32Å; E315-Q318 PolarHBondContact O-N 2.96Å
316	L	76.1	Confident	84.5	Confident	64 Å²	64	70.5 Å²	70.5	34%	0.335	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-55.9	-34.9	179.7	-177.6	60.4	0	0	0	112.6	I270 E271 Q318 I319 M320	I270-L316 HydrophobicContact CG2-CD1 4.18Å; E271-L316 HydrophobicContact CB-CD1 3.76Å; E271-L316 HydrophobicContact CB-CD2 4.35Å; L316-Q318 PolarHBondContact O-N 3.44Å; L316-I319 HydrophobicContact CD1-CD1 3.92Å; L316-I319 HydrophobicContact CD1-CG1 4.01Å; L316-I319 WeakPolarHBondContact O-CG1 3.37Å; L316-I319 PolarHBondContact O-N 3.45Å; L316-M320 HydrophobicContact CD2-SD 4.4Å; L316-M320 HydrophobicContact CG-SD 4.05Å; L316-M320 WeakPolarHBondContact O-CG 3.4Å
317	Q	79.7	Confident	84.9	Confident	146 Å²	146	70.9 Å²	70.9	68%	0.682	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-61.2	-29.5	-180	-63.8	179.2	2.1	0	0	112.6	E315 I319 M320	E315-Q317 PolarHBondContact O-N 3.03Å; E315-Q317 VanDerWaalsContact O-N 3.16Å; Q317-I319 VanDerWaalsContact C-N 3.25Å; Q317-I319 PolarHBondContact O-N 2.81Å; Q317-M320 PolarHBondContact O-N 3.09Å
318	Q	79.1	Confident	85.1	Confident	64 Å²	64	70.5 Å²	70.5	30%	0.299	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-67.6	-27.2	-178.7	-62.8	178.9	-33.2	0	0	112.4	E315 L316 K330 P471	E315-Q318 HydrophobicContact CB-CG 4.31Å; E315-Q318 WeakPolarHBondContact O-CB 3.32Å; E315-Q318 PolarHBondContact O-N 2.96Å; L316-Q318 PolarHBondContact O-N 3.44Å; Q318-K330 PolarHBondContact O-NZ 3.24Å; Q318-K330 VanDerWaalsContact O-NZ 3.07Å; Q318-P471 HydrophobicContact CB-CG 4.17Å
319	I	80.6	Confident	85.5	Confident	3 Å²	3	70.6 Å²	70.6	2%	0.015	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-102.8	11.1	179.2	65.7	163.8	0	0	0	113.5	R29 S267 I270 M314 L316 Q317 F327 P471 I473	R29-I319 PolarHBondContact NH1-O 2.81Å; S267-I319 WeakPolarHBondContact O-CD1 3.34Å; I270-I319 HydrophobicContact CG2-CD1 3.49Å; I270-I319 VanDerWaalsContact CG2-CD1 3.49Å; I270-I319 HydrophobicContact CG2-CG1 4.37Å; M314-I319 HydrophobicContact CE-CG2 4.44Å; M314-I319 HydrophobicContact SD-CG2 4.11Å; L316-I319 HydrophobicContact CD1-CD1 3.92Å; L316-I319 HydrophobicContact CD1-CG1 4.01Å; L316-I319 WeakPolarHBondContact O-CG1 3.37Å; L316-I319 PolarHBondContact O-N 3.45Å; Q317-I319 VanDerWaalsContact C-N 3.25Å; Q317-I319 PolarHBondContact O-N 2.81Å; I319-F327 WeakPolarHBondContact O-CE1 3.31Å; I319-P471 HydrophobicContact CG2-CB 3.85Å; I319-P471 HydrophobicContact CG2-CG 3.93Å; I319-I473 HydrophobicContact CB-CD1 4.41Å; I319-I473 HydrophobicContact CG2-CD1 4.19Å
320	M	84.6	Confident	85.8	Confident	83 Å²	83	70.1 Å²	70.1	41%	0.409	37%	0.365	S	S	.	.	S	Bend	trans	-105.1	155.9	174.3	-70.3	-175.3	70.8	0	0	110.8	L316 Q317 G322 K330	L316-M320 HydrophobicContact CD2-SD 4.4Å; L316-M320 HydrophobicContact CG-SD 4.05Å; L316-M320 WeakPolarHBondContact O-CG 3.4Å; Q317-M320 PolarHBondContact O-N 3.09Å; M320-G322 VanDerWaalsContact C-N 3.31Å; M320-K330 WeakPolarHBondContact O-CD 3.46Å; M320-K330 WeakPolarHBondContact O-CE 3.44Å; M320-K330 PolarHBondContact O-NZ 3.13Å
321	K	85.4	Confident	86.2	Confident	74 Å²	74	66 Å²	66	32%	0.322	35%	0.346	S	S	.	.			trans	-72.8	-23.7	175.4	-64.7	-174.7	173.2	-164.1	0	113.1	N323 Y324 S325 F327 D673	K321-N323 PolarHBondContact O-N 3.03Å; K321-Y324 WeakPolarHBondContact O-CB 3.4Å; K321-Y324 WeakPolarHBondContact O-CD2 3.17Å; K321-Y324 PolarHBondContact O-N 2.72Å; K321-S325 PolarHBondContact NZ-O 3.16Å; K321-F327 HydrophobicContact CD-CD2 4.38Å; K321-F327 HydrophobicContact CD-CE2 4.27Å; K321-F327 VanDerWaalsContact CE-CD2 3.44Å; K321-F327 VanDerWaalsContact CE-CE2 3.45Å; K321-F327 HydrophobicContact CG-CD1 4Å; K321-F327 HydrophobicContact CG-CD2 4.01Å; K321-F327 HydrophobicContact CG-CE1 3.79Å; K321-F327 HydrophobicContact CG-CE2 3.8Å; K321-F327 HydrophobicContact CG-CG 4.1Å; K321-F327 HydrophobicContact CG-CZ 3.69Å; K321-D673 VanDerWaalsContact CE-OD2 3.23Å; K321-D673 WeakPolarHBondContact CE-OD2 3.48Å; K321-D673 IonicContact NZ-OD2 2.62Å; K321-D673 PolarHBondContact NZ-OD2 3.25Å
322	G	88.4	Confident	86.7	Confident	61 Å²	61	61.6 Å²	61.6	63%	0.629	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	-129.1	-174.7	0	0	0	0	0	111	M320 Y324	M320-G322 VanDerWaalsContact C-N 3.31Å; G322-Y324 VanDerWaalsContact C-N 3.28Å; G322-Y324 PolarHBondContact O-N 3.08Å
323	N	90.6	Very high	87.5	Confident	174 Å²	174	62.4 Å²	62.4	93%	0.93	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	2	-179.6	-63.3	-18.7	0	0	0	113.8	K321	K321-N323 PolarHBondContact O-N 3.03Å
324	Y	93.3	Very high	88.5	Confident	83 Å²	83	55 Å²	55	33%	0.325	29%	0.286	S	S	.	.	S	Bend	trans	-93.8	154.2	-178.4	-60.9	-80	0	0	0	112	K321 G322 Q329 K330 F333	K321-Y324 WeakPolarHBondContact O-CB 3.4Å; K321-Y324 WeakPolarHBondContact O-CD2 3.17Å; K321-Y324 PolarHBondContact O-N 2.72Å; G322-Y324 VanDerWaalsContact C-N 3.28Å; G322-Y324 PolarHBondContact O-N 3.08Å; Y324-Q329 HydrophobicContact CD1-CG 3.9Å; Y324-K330 HydrophobicContact CD2-CB 3.52Å; Y324-K330 HydrophobicContact CD2-CD 4.33Å; Y324-K330 HydrophobicContact CD2-CG 3.7Å; Y324-K330 HydrophobicContact CE2-CB 4.18Å; Y324-K330 HydrophobicContact CE2-CG 4.05Å; Y324-K330 HydrophobicContact CG-CB 3.82Å; Y324-K330 HydrophobicContact CG-CG 4.5Å; Y324-F333 HydrophobicContact CE1-CB 3.8Å; Y324-F333 HydrophobicContact CE1-CD2 4.41Å; Y324-F333 HydrophobicContact CE1-CG 4Å; Y324-F333 WeakPolarHBondContact OH-CB 3.2Å
325	S	90.8	Very high	89.6	Confident	82 Å²	82	53.6 Å²	53.6	57%	0.573	28%	0.28	S	S	*	.	S	Bend	trans	-75.1	-30.2	179.5	64.2	0	0	0	0	113.2	K321 Q329	K321-S325 PolarHBondContact NZ-O 3.16Å; S325-Q329 PolarHBondContact OG-OE1 3.28Å
326	S	93.3	Very high	90.7	Very high	5 Å²	5	48.1 Å²	48.1	4%	0.035	26%	0.255	C	S	.	.	S	Bend	trans	-141.9	158.6	-175.4	59	0	0	0	0	111.3	Q329 K330 F662 V672 D673	S326-Q329 WeakPolarHBondContact OG-CB 3.43Å; S326-Q329 PolarHBondContact OG-N 3.47Å; S326-K330 PolarHBondContact O-N 3.38Å; S326-K330 VanDerWaalsContact O-N 3.14Å; S326-F662 WeakPolarHBondContact OG-CE2 3.38Å; S326-V672 WeakPolarHBondContact OG-CG2 3.37Å; S326-D673 WeakPolarHBondContact CA-OD2 3.43Å; S326-D673 WeakPolarHBondContact CB-OD1 3.22Å; S326-D673 WeakPolarHBondContact CB-OD2 3.49Å
327	F	93.2	Very high	91.6	Very high	33 Å²	33	51.2 Å²	51.2	15%	0.145	27%	0.267	C	S	.	.	H	α-helix	trans	-67.3	-41.5	174	-72.8	-73	0	0	0	111.1	I319 K321 Q329 K330 E331 I473 D673	I319-F327 WeakPolarHBondContact O-CE1 3.31Å; K321-F327 HydrophobicContact CD-CD2 4.38Å; K321-F327 HydrophobicContact CD-CE2 4.27Å; K321-F327 VanDerWaalsContact CE-CD2 3.44Å; K321-F327 VanDerWaalsContact CE-CE2 3.45Å; K321-F327 HydrophobicContact CG-CD1 4Å; K321-F327 HydrophobicContact CG-CD2 4.01Å; K321-F327 HydrophobicContact CG-CE1 3.79Å; K321-F327 HydrophobicContact CG-CE2 3.8Å; K321-F327 HydrophobicContact CG-CG 4.1Å; K321-F327 HydrophobicContact CG-CZ 3.69Å; F327-Q329 VanDerWaalsContact C-N 3.29Å; F327-Q329 PolarHBondContact O-N 2.92Å; F327-K330 WeakPolarHBondContact O-CB 3.44Å; F327-K330 PolarHBondContact O-N 2.86Å; F327-K330 VanDerWaalsContact O-N 3.16Å; F327-E331 WeakPolarHBondContact O-CB 3.42Å; F327-E331 WeakPolarHBondContact O-CG 3.5Å; F327-E331 PolarHBondContact O-N 3.49Å; F327-I473 HydrophobicContact CB-CB 4.17Å; F327-I473 HydrophobicContact CB-CG2 4.41Å; F327-I473 HydrophobicContact CD1-CB 3.72Å; F327-I473 HydrophobicContact CD1-CG1 4.07Å; F327-I473 HydrophobicContact CD1-CG2 3.97Å; F327-I473 HydrophobicContact CD2-CB 4.17Å; F327-I473 HydrophobicContact CD2-CG2 3.58Å; F327-I473 HydrophobicContact CE1-CB 4.07Å; F327-I473 HydrophobicContact CE1-CG1 4.06Å; F327-I473 HydrophobicContact CE1-CG2 4.05Å; F327-I473 HydrophobicContact CE2-CB 4.48Å; F327-I473 HydrophobicContact CE2-CG2 3.66Å; F327-I473 HydrophobicContact CG-CB 3.77Å; F327-I473 HydrophobicContact CG-CG2 3.73Å; F327-I473 HydrophobicContact CZ-CB 4.44Å; F327-I473 HydrophobicContact CZ-CG2 3.89Å; F327-D673 WeakPolarHBondContact CA-OD1 3.33Å; F327-D673 WeakPolarHBondContact CB-OD1 3.44Å; F327-D673 VanDerWaalsContact N-CG 3.32Å; F327-D673 PolarHBondContact N-OD1 3.43Å; F327-D673 PolarHBondContact N-OD2 2.88Å
328	M	95.1	Very high	92.3	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-56.7	-44.3	176.6	-175.8	174.1	179.6	0	0	111.7	E331 I332 A476 T478 I566 V672 D673	M328-E331 PolarHBondContact O-N 2.94Å; M328-I332 HydrophobicContact CE-CD1 3.95Å; M328-I332 HydrophobicContact CG-CD1 3.96Å; M328-I332 VanDerWaalsContact O-CG1 3.23Å; M328-I332 WeakPolarHBondContact O-CG1 3.42Å; M328-I332 PolarHBondContact O-N 2.96Å; M328-A476 HydrophobicContact CE-CB 4.49Å; M328-A476 HydrophobicContact SD-CB 4.39Å; M328-T478 HydrophobicContact CE-CG2 4.17Å; M328-T478 HydrophobicContact CG-CG2 4.36Å; M328-I566 HydrophobicContact CE-CD1 3.36Å; M328-I566 HydrophobicContact SD-CD1 3.5Å; M328-I566 WeakPolarHBondContact SD-CD1 3.37Å; M328-I566 HydrophobicContact SD-CG2 4.33Å; M328-V672 HydrophobicContact CB-CB 4.44Å; M328-V672 HydrophobicContact CB-CG2 4.31Å; M328-V672 HydrophobicContact SD-CB 4.26Å; M328-D673 PolarHBondContact N-OD1 2.83Å
329	Q	96.7	Very high	93.2	Very high	35 Å²	35	41.3 Å²	41.3	16%	0.164	22%	0.221	C	C	.	.	H	α-helix	trans	-61.9	-50.2	175.8	-172.2	-177.1	28.8	0	0	111.4	Y324 S325 S326 F327 E331 I332 F333 F662	Y324-Q329 HydrophobicContact CD1-CG 3.9Å; S325-Q329 PolarHBondContact OG-OE1 3.28Å; S326-Q329 WeakPolarHBondContact OG-CB 3.43Å; S326-Q329 PolarHBondContact OG-N 3.47Å; F327-Q329 VanDerWaalsContact C-N 3.29Å; F327-Q329 PolarHBondContact O-N 2.92Å; Q329-E331 VanDerWaalsContact C-N 3.29Å; Q329-E331 PolarHBondContact O-N 3.36Å; Q329-I332 PolarHBondContact O-N 3.24Å; Q329-F333 HydrophobicContact CG-CD2 4.08Å; Q329-F333 HydrophobicContact CG-CE2 4.12Å; Q329-F333 VanDerWaalsContact O-CD2 3.26Å; Q329-F333 WeakPolarHBondContact O-CD2 3.05Å; Q329-F333 PolarHBondContact O-N 2.76Å; Q329-F333 VanDerWaalsContact O-N 3.1Å; Q329-F662 HydrophobicContact CB-CD2 4.39Å; Q329-F662 HydrophobicContact CB-CE2 3.84Å; Q329-F662 HydrophobicContact CB-CZ 3.92Å; Q329-F662 HydrophobicContact CG-CE1 4.28Å; Q329-F662 HydrophobicContact CG-CE2 4.43Å; Q329-F662 HydrophobicContact CG-CZ 4.01Å
330	K	95.8	Very high	94	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.035	24%	0.236	C	C	.	.	H	α-helix	trans	-52.3	-50	176.3	174.2	175.7	-176	-85.2	0	111.2	Q318 M320 Y324 S326 F327 I332 F333 E334	Q318-K330 PolarHBondContact O-NZ 3.24Å; Q318-K330 VanDerWaalsContact O-NZ 3.07Å; M320-K330 WeakPolarHBondContact O-CD 3.46Å; M320-K330 WeakPolarHBondContact O-CE 3.44Å; M320-K330 PolarHBondContact O-NZ 3.13Å; Y324-K330 HydrophobicContact CD2-CB 3.52Å; Y324-K330 HydrophobicContact CD2-CD 4.33Å; Y324-K330 HydrophobicContact CD2-CG 3.7Å; Y324-K330 HydrophobicContact CE2-CB 4.18Å; Y324-K330 HydrophobicContact CE2-CG 4.05Å; Y324-K330 HydrophobicContact CG-CB 3.82Å; Y324-K330 HydrophobicContact CG-CG 4.5Å; S326-K330 PolarHBondContact O-N 3.38Å; S326-K330 VanDerWaalsContact O-N 3.14Å; F327-K330 WeakPolarHBondContact O-CB 3.44Å; F327-K330 PolarHBondContact O-N 2.86Å; F327-K330 VanDerWaalsContact O-N 3.16Å; K330-I332 PolarHBondContact O-N 2.83Å; K330-F333 CarbonylContact O-C 3.52Å; K330-F333 PolarHBondContact O-N 2.87Å; K330-E334 WeakPolarHBondContact CE-OE1 3.49Å; K330-E334 HydrophobicContact CG-CG 4.06Å; K330-E334 WeakPolarHBondContact CG-OE1 3.31Å; K330-E334 VanDerWaalsContact NZ-CD 3.31Å; K330-E334 IonicContact NZ-OE1 3.74Å; K330-E334 PolarHBondContact NZ-OE1 3.41Å; K330-E334 IonicContact NZ-OE2 3.17Å; K330-E334 PolarHBondContact NZ-OE2 2.94Å; K330-E334 VanDerWaalsContact O-CB 3.32Å; K330-E334 WeakPolarHBondContact O-CB 3.46Å; K330-E334 VanDerWaalsContact O-CG 3.25Å; K330-E334 WeakPolarHBondContact O-CG 3.25Å; K330-E334 PolarHBondContact O-N 2.81Å
331	E	96.4	Very high	94.5	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-68.1	-34.6	-174.2	-68.8	164.1	-176.5	0	0	112.7	F327 M328 Q329 E472 I473 G474 T478 K479	F327-E331 WeakPolarHBondContact O-CB 3.42Å; F327-E331 WeakPolarHBondContact O-CG 3.5Å; F327-E331 PolarHBondContact O-N 3.49Å; M328-E331 PolarHBondContact O-N 2.94Å; Q329-E331 VanDerWaalsContact C-N 3.29Å; Q329-E331 PolarHBondContact O-N 3.36Å; E331-E472 WeakPolarHBondContact OE2-CG 3.23Å; E331-I473 WeakPolarHBondContact OE1-CA 3.26Å; E331-I473 PolarHBondContact OE1-N 2.81Å; E331-G474 PolarHBondContact OE1-N 2.78Å; E331-G474 PolarHBondContact OE2-N 3.33Å; E331-T478 WeakPolarHBondContact CB-OG1 3.25Å; E331-K479 HydrophobicContact CB-CD 4.16Å; E331-K479 HydrophobicContact CB-CG 4.31Å; E331-K479 HydrophobicContact CG-CD 4.21Å
332	I	97.5	Very high	95	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.5	-46.6	171.8	-67.8	164.9	0	0	0	110.4	M328 Q329 K330 Q335 T478 L525 I655 Q658 L659 F662	M328-I332 HydrophobicContact CE-CD1 3.95Å; M328-I332 HydrophobicContact CG-CD1 3.96Å; M328-I332 VanDerWaalsContact O-CG1 3.23Å; M328-I332 WeakPolarHBondContact O-CG1 3.42Å; M328-I332 PolarHBondContact O-N 2.96Å; Q329-I332 PolarHBondContact O-N 3.24Å; K330-I332 PolarHBondContact O-N 2.83Å; I332-Q335 WeakPolarHBondContact O-CB 3.45Å; I332-Q335 VanDerWaalsContact O-CG 3.3Å; I332-Q335 WeakPolarHBondContact O-CG 3.19Å; I332-Q335 PolarHBondContact O-N 3.42Å; I332-Q335 PolarHBondContact O-NE2 2.81Å; I332-T478 HydrophobicContact CD1-CG2 4.3Å; I332-T478 HydrophobicContact CG1-CG2 3.7Å; I332-L525 HydrophobicContact CG2-CD2 3.84Å; I332-I655 HydrophobicContact CG2-CG2 4.44Å; I332-Q658 HydrophobicContact CD1-CB 3.94Å; I332-Q658 HydrophobicContact CG1-CB 4.14Å; I332-L659 HydrophobicContact CD1-CD2 4.48Å; I332-L659 HydrophobicContact CG2-CD2 3.59Å; I332-L659 HydrophobicContact CG2-CG 4.05Å; I332-F662 HydrophobicContact CD1-CB 4.38Å
333	F	96.8	Very high	95.4	Very high	49 Å²	49	35.5 Å²	35.5	22%	0.215	18%	0.183	C	C	.	.	H	α-helix	trans	-77.3	-19.5	-177.2	-80.1	-101.8	0	0	0	113.5	Y324 Q329 K330 Q335 P336 L525 D528 L659	Y324-F333 HydrophobicContact CE1-CB 3.8Å; Y324-F333 HydrophobicContact CE1-CD2 4.41Å; Y324-F333 HydrophobicContact CE1-CG 4Å; Y324-F333 WeakPolarHBondContact OH-CB 3.2Å; Q329-F333 HydrophobicContact CG-CD2 4.08Å; Q329-F333 HydrophobicContact CG-CE2 4.12Å; Q329-F333 VanDerWaalsContact O-CD2 3.26Å; Q329-F333 WeakPolarHBondContact O-CD2 3.05Å; Q329-F333 PolarHBondContact O-N 2.76Å; Q329-F333 VanDerWaalsContact O-N 3.1Å; K330-F333 CarbonylContact O-C 3.52Å; K330-F333 PolarHBondContact O-N 2.87Å; F333-Q335 VanDerWaalsContact C-N 3.27Å; F333-P336 VanDerWaalsContact O-CD 3.29Å; F333-P336 WeakPolarHBondContact O-CD 3.44Å; F333-L525 HydrophobicContact CD1-CB 4.39Å; F333-L525 HydrophobicContact CD1-CD1 4.33Å; F333-L525 HydrophobicContact CD1-CD2 4.32Å; F333-L525 HydrophobicContact CD2-CD2 4.47Å; F333-L525 HydrophobicContact CE1-CB 4.28Å; F333-L525 HydrophobicContact CE1-CD2 4.49Å; F333-L525 HydrophobicContact CG-CD2 4.32Å; F333-D528 HydrophobicContact CZ-CB 4.17Å; F333-L659 HydrophobicContact CD2-CD2 4.44Å; F333-L659 HydrophobicContact CE2-CD2 3.67Å; F333-L659 HydrophobicContact CZ-CD2 4.22Å
334	E	95.7	Very high	95.6	Very high	38 Å²	38	35.2 Å²	35.2	18%	0.178	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-4.8	172	-78.8	-178.2	165.7	0	0	113.3	K330 P336 E337 S338 K479	K330-E334 WeakPolarHBondContact CE-OE1 3.49Å; K330-E334 HydrophobicContact CG-CG 4.06Å; K330-E334 WeakPolarHBondContact CG-OE1 3.31Å; K330-E334 VanDerWaalsContact NZ-CD 3.31Å; K330-E334 IonicContact NZ-OE1 3.74Å; K330-E334 PolarHBondContact NZ-OE1 3.41Å; K330-E334 IonicContact NZ-OE2 3.17Å; K330-E334 PolarHBondContact NZ-OE2 2.94Å; K330-E334 VanDerWaalsContact O-CB 3.32Å; K330-E334 WeakPolarHBondContact O-CB 3.46Å; K330-E334 VanDerWaalsContact O-CG 3.25Å; K330-E334 WeakPolarHBondContact O-CG 3.25Å; K330-E334 PolarHBondContact O-N 2.81Å; E334-P336 VanDerWaalsContact C-CD 3.42Å; E334-E337 PolarHBondContact O-N 3.41Å; E334-S338 PolarHBondContact O-N 3.43Å; E334-K479 IonicContact OE2-NZ 3.72Å; E334-K479 PolarHBondContact OE2-NZ 3.11Å; E334-K479 VanDerWaalsContact OE2-NZ 3.1Å
335	Q	97.4	Very high	95.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-53.6	-41.2	-179.1	-76.1	-177.8	96.9	0	0	114.7	I332 F333 E337 S338 V339 K479 T482 I521	I332-Q335 WeakPolarHBondContact O-CB 3.45Å; I332-Q335 VanDerWaalsContact O-CG 3.3Å; I332-Q335 WeakPolarHBondContact O-CG 3.19Å; I332-Q335 PolarHBondContact O-N 3.42Å; I332-Q335 PolarHBondContact O-NE2 2.81Å; F333-Q335 VanDerWaalsContact C-N 3.27Å; Q335-E337 VanDerWaalsContact C-N 3.29Å; Q335-E337 PolarHBondContact O-N 3.22Å; Q335-S338 VanDerWaalsContact CA-OG 3.32Å; Q335-S338 WeakPolarHBondContact CA-OG 3.29Å; Q335-S338 PolarHBondContact O-N 3.34Å; Q335-S338 PolarHBondContact O-OG 2.89Å; Q335-V339 WeakPolarHBondContact O-CB 3.44Å; Q335-V339 VanDerWaalsContact O-CG2 3.29Å; Q335-V339 WeakPolarHBondContact O-CG2 3.48Å; Q335-V339 PolarHBondContact O-N 3.35Å; Q335-K479 HydrophobicContact CG-CB 3.9Å; Q335-T482 PolarHBondContact OE1-OG1 3.41Å; Q335-I521 HydrophobicContact CB-CG2 4.18Å
336	P	97.5	Very high	95.8	Very high	7 Å²	7	33.2 Å²	33.2	5%	0.045	17%	0.173	C	C	.	.	H	α-helix	trans	-50.8	-46.8	171.3	-29.2	36.8	0	0	0	113.4	F333 E334 V340 P517 I521 K522 L525	F333-P336 VanDerWaalsContact O-CD 3.29Å; F333-P336 WeakPolarHBondContact O-CD 3.44Å; E334-P336 VanDerWaalsContact C-CD 3.42Å; P336-V340 WeakPolarHBondContact O-CG2 3.37Å; P336-V340 PolarHBondContact O-N 3.04Å; P336-P517 WeakPolarHBondContact CB-O 3.26Å; P336-P517 VanDerWaalsContact O-CB 3.32Å; P336-P517 WeakPolarHBondContact O-CB 3.2Å; P336-I521 HydrophobicContact CG-CB 4.26Å; P336-I521 HydrophobicContact CG-CG2 3.59Å; P336-K522 HydrophobicContact CB-CG 4.23Å; P336-K522 HydrophobicContact CG-CG 3.82Å; P336-L525 HydrophobicContact CG-CD1 3.87Å
337	E	95.3	Very high	96	Very high	128 Å²	128	33.8 Å²	33.8	60%	0.598	18%	0.175	S	C	*	.	H	α-helix	trans	-75.7	-41.3	-176.7	-63.7	-178.9	-177.1	0	0	111.4	E334 Q335 V339 V340 N341	E334-E337 PolarHBondContact O-N 3.41Å; Q335-E337 VanDerWaalsContact C-N 3.29Å; Q335-E337 PolarHBondContact O-N 3.22Å; E337-V339 VanDerWaalsContact C-N 3.33Å; E337-V339 PolarHBondContact O-N 3.31Å; E337-V340 PolarHBondContact O-N 3.28Å; E337-N341 WeakPolarHBondContact O-CB 3.33Å; E337-N341 PolarHBondContact O-N 3.5Å; E337-N341 PolarHBondContact O-ND2 2.96Å
338	S	95.4	Very high	96.1	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-63.2	-37.6	178.3	70.9	0	0	0	0	112.6	E334 Q335 N341 T342	E334-S338 PolarHBondContact O-N 3.43Å; Q335-S338 VanDerWaalsContact CA-OG 3.32Å; Q335-S338 WeakPolarHBondContact CA-OG 3.29Å; Q335-S338 PolarHBondContact O-N 3.34Å; Q335-S338 PolarHBondContact O-OG 2.89Å; S338-N341 PolarHBondContact O-N 2.97Å; S338-T342 WeakPolarHBondContact O-CB 3.39Å; S338-T342 PolarHBondContact O-N 3.33Å; S338-T342 PolarHBondContact O-OG1 3.37Å
339	V	96.9	Very high	96.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-67.2	-42.4	174.9	171.3	0	0	0	0	110.6	Q335 E337 N341 T342 M343 V486 L516 P517 I521	Q335-V339 WeakPolarHBondContact O-CB 3.44Å; Q335-V339 VanDerWaalsContact O-CG2 3.29Å; Q335-V339 WeakPolarHBondContact O-CG2 3.48Å; Q335-V339 PolarHBondContact O-N 3.35Å; E337-V339 VanDerWaalsContact C-N 3.33Å; E337-V339 PolarHBondContact O-N 3.31Å; V339-N341 VanDerWaalsContact C-N 3.35Å; V339-N341 PolarHBondContact O-N 2.89Å; V339-T342 WeakPolarHBondContact O-CB 3.33Å; V339-T342 PolarHBondContact O-N 3.47Å; V339-M343 HydrophobicContact CG1-CE 3.92Å; V339-M343 HydrophobicContact CG1-SD 4.42Å; V339-M343 WeakPolarHBondContact O-CG 3.35Å; V339-M343 PolarHBondContact O-N 2.96Å; V339-M343 VanDerWaalsContact O-N 3.12Å; V339-V486 HydrophobicContact CG1-CG2 4.08Å; V339-L516 HydrophobicContact CG1-CD2 4.19Å; V339-P517 HydrophobicContact CB-CB 4.49Å; V339-P517 HydrophobicContact CG1-CB 4.39Å; V339-P517 HydrophobicContact CG1-CG 3.94Å; V339-I521 HydrophobicContact CG2-CD1 3.99Å
340	V	96.9	Very high	95.9	Very high	54 Å²	54	43 Å²	43	33%	0.327	23%	0.225	S	C	.	.	H	α-helix	trans	-59.8	-45.4	172.7	171	0	0	0	0	111.1	P336 E337 T342 M343 R344 P517	P336-V340 WeakPolarHBondContact O-CG2 3.37Å; P336-V340 PolarHBondContact O-N 3.04Å; E337-V340 PolarHBondContact O-N 3.28Å; V340-T342 VanDerWaalsContact C-N 3.25Å; V340-T342 PolarHBondContact O-N 3.12Å; V340-M343 PolarHBondContact O-N 2.85Å; V340-M343 VanDerWaalsContact O-N 3.12Å; V340-R344 WeakPolarHBondContact O-CB 3.45Å; V340-R344 PolarHBondContact O-N 3.14Å; V340-P517 HydrophobicContact CG2-CB 3.59Å; V340-P517 HydrophobicContact CG2-CG 3.73Å
341	N	95.1	Very high	95.8	Very high	38 Å²	38	46.7 Å²	46.7	20%	0.203	25%	0.245	C	C	.	.	H	α-helix	trans	-63.9	-32.4	178.7	-69.5	-23.5	0	0	0	112.5	E337 S338 V339 M343 R344 N468	E337-N341 WeakPolarHBondContact O-CB 3.33Å; E337-N341 PolarHBondContact O-N 3.5Å; E337-N341 PolarHBondContact O-ND2 2.96Å; S338-N341 PolarHBondContact O-N 2.97Å; V339-N341 VanDerWaalsContact C-N 3.35Å; V339-N341 PolarHBondContact O-N 2.89Å; N341-M343 VanDerWaalsContact C-N 3.35Å; N341-R344 VanDerWaalsContact OD1-CZ 3.31Å; N341-R344 PolarHBondContact OD1-NH2 2.68Å; N341-N468 VanDerWaalsContact CB-O 3.31Å; N341-N468 WeakPolarHBondContact CB-O 3.37Å; N341-N468 PolarHBondContact O-ND2 3.18Å; N341-N468 VanDerWaalsContact O-ND2 3.12Å
342	T	96.8	Very high	95.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66.1	-37.1	173.5	-58.9	0	0	0	0	111.7	S338 V339 V340 R346 I467 S483 V486 A487 M490	S338-T342 WeakPolarHBondContact O-CB 3.39Å; S338-T342 PolarHBondContact O-N 3.33Å; S338-T342 PolarHBondContact O-OG1 3.37Å; V339-T342 WeakPolarHBondContact O-CB 3.33Å; V339-T342 PolarHBondContact O-N 3.47Å; V340-T342 VanDerWaalsContact C-N 3.25Å; V340-T342 PolarHBondContact O-N 3.12Å; T342-R346 VanDerWaalsContact O-CD 3.25Å; T342-R346 WeakPolarHBondContact O-CD 3.47Å; T342-R346 PolarHBondContact O-NH1 3.27Å; T342-I467 VanDerWaalsContact CA-O 3.28Å; T342-I467 WeakPolarHBondContact CA-O 3.43Å; T342-I467 WeakPolarHBondContact CB-O 3.2Å; T342-I467 WeakPolarHBondContact CG2-O 3.5Å; T342-I467 PolarHBondContact OG1-O 2.75Å; T342-S483 VanDerWaalsContact OG1-CB 3.29Å; T342-S483 WeakPolarHBondContact OG1-CB 3.25Å; T342-S483 PolarHBondContact OG1-OG 3.28Å; T342-V486 HydrophobicContact CG2-CB 4.17Å; T342-V486 HydrophobicContact CG2-CG1 3.97Å; T342-A487 HydrophobicContact CG2-CB 4.48Å; T342-M490 HydrophobicContact CG2-CE 3.84Å; T342-M490 WeakPolarHBondContact O-CE 3.17Å
343	M	96.8	Very high	95.5	Very high	7 Å²	7	51 Å²	51	3%	0.034	27%	0.269	C	S	.	.	H	α-helix	trans	-87.6	-17.9	-179.6	-61.9	-177.8	-59.5	0	0	113.9	V339 V340 N341 G345 R346 I347 F349 V486 M490 L513 P517	V339-M343 HydrophobicContact CG1-CE 3.92Å; V339-M343 HydrophobicContact CG1-SD 4.42Å; V339-M343 WeakPolarHBondContact O-CG 3.35Å; V339-M343 PolarHBondContact O-N 2.96Å; V339-M343 VanDerWaalsContact O-N 3.12Å; V340-M343 PolarHBondContact O-N 2.85Å; V340-M343 VanDerWaalsContact O-N 3.12Å; N341-M343 VanDerWaalsContact C-N 3.35Å; M343-G345 PolarHBondContact O-N 3.23Å; M343-R346 WeakPolarHBondContact O-CB 3.29Å; M343-R346 PolarHBondContact O-N 3.26Å; M343-I347 HydrophobicContact CB-CD1 4.02Å; M343-I347 HydrophobicContact CB-CG1 4.22Å; M343-I347 HydrophobicContact CG-CD1 3.73Å; M343-I347 HydrophobicContact CG-CG1 4.43Å; M343-I347 PolarHBondContact O-N 3.3Å; M343-I347 VanDerWaalsContact O-N 3.11Å; M343-I347 HydrophobicContact SD-CD1 3.79Å; M343-F349 HydrophobicContact CE-CZ 4.26Å; M343-F349 HydrophobicContact SD-CZ 4.14Å; M343-V486 HydrophobicContact CG-CG1 3.76Å; M343-V486 HydrophobicContact SD-CG1 4.29Å; M343-M490 HydrophobicContact CG-SD 4.37Å; M343-L513 WeakPolarHBondContact CE-O 3.33Å; M343-L513 HydrophobicContact SD-CB 3.88Å; M343-L513 HydrophobicContact SD-CD2 4.11Å; M343-L513 HydrophobicContact SD-CG 4.44Å; M343-P517 HydrophobicContact CE-CG 3.61Å
344	R	94.8	Very high	95.5	Very high	168 Å²	168	48.8 Å²	48.8	63%	0.634	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	124.2	-173.3	-172.9	178.4	-66	-173.9	1.2	111.6	V340 N341 R346	V340-R344 WeakPolarHBondContact O-CB 3.45Å; V340-R344 PolarHBondContact O-N 3.14Å; N341-R344 VanDerWaalsContact OD1-CZ 3.31Å; N341-R344 PolarHBondContact OD1-NH2 2.68Å; R344-R346 PolarHBondContact O-N 3.49Å
345	G	93.4	Very high	95.5	Very high	80 Å²	80	50.6 Å²	50.6	83%	0.825	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	5.1	-179.1	0	0	0	0	0	114.8	M343	M343-G345 PolarHBondContact O-N 3.23Å
346	R	96	Very high	95.4	Very high	43 Å²	43	50.9 Å²	50.9	16%	0.162	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-30.2	-179.3	-62.4	170.9	-166.2	168.6	-5.5	113	T342 M343 R344 V354 T355 L356 H466 M490	T342-R346 VanDerWaalsContact O-CD 3.25Å; T342-R346 WeakPolarHBondContact O-CD 3.47Å; T342-R346 PolarHBondContact O-NH1 3.27Å; M343-R346 WeakPolarHBondContact O-CB 3.29Å; M343-R346 PolarHBondContact O-N 3.26Å; R344-R346 PolarHBondContact O-N 3.49Å; R346-V354 CarbonylContact O-C 3.6Å; R346-V354 VanDerWaalsContact O-CA 3.28Å; R346-V354 WeakPolarHBondContact O-CA 3.45Å; R346-T355 VanDerWaalsContact CA-O 3.28Å; R346-T355 WeakPolarHBondContact CA-O 3.23Å; R346-T355 WeakPolarHBondContact CB-O 3.16Å; R346-T355 PolarHBondContact O-N 2.91Å; R346-L356 HydrophobicContact CB-CD2 4.29Å; R346-L356 HydrophobicContact CG-CD2 4.2Å; R346-H466 VanDerWaalsContact CZ-O 3.23Å; R346-H466 PolarHBondContact NH1-O 3.45Å; R346-H466 PolarHBondContact NH2-O 2.9Å; R346-M490 HydrophobicContact CB-SD 3.87Å
347	I	96.3	Very high	95.1	Very high	16 Å²	16	53.1 Å²	53.1	8%	0.082	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.4	173.6	-52.1	-175.3	0	0	0	108.4	M343 F349 V354 M490 I510 L513	M343-I347 HydrophobicContact CB-CD1 4.02Å; M343-I347 HydrophobicContact CB-CG1 4.22Å; M343-I347 HydrophobicContact CG-CD1 3.73Å; M343-I347 HydrophobicContact CG-CG1 4.43Å; M343-I347 PolarHBondContact O-N 3.3Å; M343-I347 VanDerWaalsContact O-N 3.11Å; M343-I347 HydrophobicContact SD-CD1 3.79Å; I347-F349 HydrophobicContact CB-CE1 4.44Å; I347-F349 HydrophobicContact CB-CE2 4.4Å; I347-F349 HydrophobicContact CB-CZ 4.19Å; I347-F349 HydrophobicContact CD1-CZ 4.5Å; I347-F349 HydrophobicContact CG2-CD1 3.85Å; I347-F349 HydrophobicContact CG2-CD2 4.45Å; I347-F349 HydrophobicContact CG2-CE1 3.65Å; I347-F349 HydrophobicContact CG2-CE2 4.28Å; I347-F349 HydrophobicContact CG2-CG 4.25Å; I347-F349 HydrophobicContact CG2-CZ 3.89Å; I347-V354 HydrophobicContact CG1-CG2 4.31Å; I347-M490 HydrophobicContact CD1-CG 3.85Å; I347-M490 HydrophobicContact CD1-SD 3.82Å; I347-M490 HydrophobicContact CG1-CG 4.12Å; I347-M490 HydrophobicContact CG1-SD 3.69Å; I347-I510 HydrophobicContact CG2-CG2 4.14Å; I347-L513 HydrophobicContact CD1-CB 4.42Å; I347-L513 HydrophobicContact CD1-CD1 3.64Å
348	N	95.6	Very high	95	Very high	66 Å²	66	49.2 Å²	49.2	35%	0.353	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	108.5	166.1	-179.8	-20.9	0	0	0	108.4	D350 N351 N352 T353	N348-D350 VanDerWaalsContact C-N 3.3Å; N348-D350 PolarHBondContact O-N 3.14Å; N348-D350 WeakPolarHBondContact OD1-CB 3.45Å; N348-D350 PolarHBondContact OD1-N 2.79Å; N348-N351 WeakPolarHBondContact CB-OD1 3.21Å; N348-N351 PolarHBondContact ND2-OD1 3.02Å; N348-N351 PolarHBondContact O-OD1 3.35Å; N348-N351 PolarHBondContact OD1-N 2.79Å; N348-N351 PolarHBondContact OD1-OD1 2.85Å; N348-N352 VanDerWaalsContact O-CA 3.24Å; N348-N352 WeakPolarHBondContact O-CA 3.22Å; N348-N352 PolarHBondContact O-N 3.4Å; N348-T353 PolarHBondContact N-O 2.93Å; N348-T353 PolarHBondContact O-N 3.45Å; N348-T353 VanDerWaalsContact O-N 3.17Å
349	F	94.2	Very high	95	Very high	53 Å²	53	49.1 Å²	49.1	23%	0.232	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-15	-177	-65.4	-72	0	0	0	113.8	M343 I347 I510 L513 R514	M343-F349 HydrophobicContact CE-CZ 4.26Å; M343-F349 HydrophobicContact SD-CZ 4.14Å; I347-F349 HydrophobicContact CB-CE1 4.44Å; I347-F349 HydrophobicContact CB-CE2 4.4Å; I347-F349 HydrophobicContact CB-CZ 4.19Å; I347-F349 HydrophobicContact CD1-CZ 4.5Å; I347-F349 HydrophobicContact CG2-CD1 3.85Å; I347-F349 HydrophobicContact CG2-CD2 4.45Å; I347-F349 HydrophobicContact CG2-CE1 3.65Å; I347-F349 HydrophobicContact CG2-CE2 4.28Å; I347-F349 HydrophobicContact CG2-CG 4.25Å; I347-F349 HydrophobicContact CG2-CZ 3.89Å; F349-I510 HydrophobicContact CD1-CG2 3.91Å; F349-I510 HydrophobicContact CE1-CG2 4.28Å; F349-L513 HydrophobicContact CE1-CB 4.37Å; F349-R514 HydrophobicContact CD1-CB 3.63Å; F349-R514 HydrophobicContact CD1-CG 3.92Å; F349-R514 VanDerWaalsContact CE1-CA 3.5Å; F349-R514 HydrophobicContact CE1-CB 3.59Å; F349-R514 HydrophobicContact CE1-CG 4.19Å; F349-R514 HydrophobicContact CG-CB 4.38Å; F349-R514 HydrophobicContact CG-CG 4.18Å; F349-R514 HydrophobicContact CZ-CB 4.31Å
350	D	93.8	Very high	94.8	Very high	143 Å²	143	56.3 Å²	56.3	77%	0.765	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-38.5	-179.5	-62.6	-33.9	0	0	0	111.3	N348	N348-D350 VanDerWaalsContact C-N 3.3Å; N348-D350 PolarHBondContact O-N 3.14Å; N348-D350 WeakPolarHBondContact OD1-CB 3.45Å; N348-D350 PolarHBondContact OD1-N 2.79Å
351	N	93.4	Very high	94.6	Very high	86 Å²	86	60.5 Å²	60.5	46%	0.46	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	1.6	178.3	69.6	0.9	0	0	0	113.8	N348 T353	N348-N351 WeakPolarHBondContact CB-OD1 3.21Å; N348-N351 PolarHBondContact ND2-OD1 3.02Å; N348-N351 PolarHBondContact O-OD1 3.35Å; N348-N351 PolarHBondContact OD1-N 2.79Å; N348-N351 PolarHBondContact OD1-OD1 2.85Å; N351-T353 VanDerWaalsContact C-N 3.3Å; N351-T353 HydrophobicContact CB-CG2 4.39Å; N351-T353 VanDerWaalsContact CG-OG1 3.26Å; N351-T353 PolarHBondContact ND2-OG1 2.95Å; N351-T353 PolarHBondContact O-N 2.85Å; N351-T353 WeakPolarHBondContact OD1-CB 3.49Å; N351-T353 WeakPolarHBondContact OD1-CG2 3.05Å; N351-T353 PolarHBondContact OD1-N 2.9Å; N351-T353 VanDerWaalsContact OD1-N 3.11Å; N351-T353 PolarHBondContact OD1-OG1 3.03Å
352	N	93.3	Very high	94.6	Very high	43 Å²	43	61.2 Å²	61.2	23%	0.23	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	39.2	-177.7	-57.4	-62.8	0	0	0	113.9	N348 R507 I510	N348-N352 VanDerWaalsContact O-CA 3.24Å; N348-N352 WeakPolarHBondContact O-CA 3.22Å; N348-N352 PolarHBondContact O-N 3.4Å; N352-R507 HydrophobicContact CB-CG 4.43Å; N352-I510 HydrophobicContact CB-CD1 3.95Å; N352-I510 HydrophobicContact CB-CG2 4.33Å; N352-I510 VanDerWaalsContact O-CD1 3.22Å; N352-I510 WeakPolarHBondContact O-CD1 3.32Å; N352-I510 WeakPolarHBondContact OD1-CG2 3.2Å
353	T	94.4	Very high	94.5	Very high	48 Å²	48	62.3 Å²	62.3	29%	0.294	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	145.5	176.9	59.7	0	0	0	0	111.5	N348 N351	N348-T353 PolarHBondContact N-O 2.93Å; N348-T353 PolarHBondContact O-N 3.45Å; N348-T353 VanDerWaalsContact O-N 3.17Å; N351-T353 VanDerWaalsContact C-N 3.3Å; N351-T353 HydrophobicContact CB-CG2 4.39Å; N351-T353 VanDerWaalsContact CG-OG1 3.26Å; N351-T353 PolarHBondContact ND2-OG1 2.95Å; N351-T353 PolarHBondContact O-N 2.85Å; N351-T353 WeakPolarHBondContact OD1-CB 3.49Å; N351-T353 WeakPolarHBondContact OD1-CG2 3.05Å; N351-T353 PolarHBondContact OD1-N 2.9Å; N351-T353 VanDerWaalsContact OD1-N 3.11Å; N351-T353 PolarHBondContact OD1-OG1 3.03Å
354	V	96.6	Very high	94.4	Very high	4 Å²	4	69.1 Å²	69.1	2%	0.024	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132.3	175.8	-177.7	0	0	0	0	108.5	R346 I347 M490 L493 I510	R346-V354 CarbonylContact O-C 3.6Å; R346-V354 VanDerWaalsContact O-CA 3.28Å; R346-V354 WeakPolarHBondContact O-CA 3.45Å; I347-V354 HydrophobicContact CG1-CG2 4.31Å; V354-M490 HydrophobicContact CG1-CB 3.88Å; V354-M490 HydrophobicContact CG1-CG 4.21Å; V354-L493 HydrophobicContact CB-CB 4.43Å; V354-L493 HydrophobicContact CG2-CB 3.99Å; V354-L493 HydrophobicContact CG2-CD1 4Å; V354-I510 HydrophobicContact CG2-CD1 4.09Å; V354-I510 HydrophobicContact CG2-CG1 4.39Å
355	T	94.5	Very high	94.3	Very high	76 Å²	76	66.1 Å²	66.1	47%	0.466	38%	0.376	S	S	.	.			trans	-137.5	121.1	178.6	-59.2	0	0	0	0	109.5	R346	R346-T355 VanDerWaalsContact CA-O 3.28Å; R346-T355 WeakPolarHBondContact CA-O 3.23Å; R346-T355 WeakPolarHBondContact CB-O 3.16Å; R346-T355 PolarHBondContact O-N 2.91Å
356	L	95.4	Very high	94.4	Very high	5 Å²	5	62.3 Å²	62.3	3%	0.026	34%	0.336	C	S	.	.			trans	-106	96.5	173.4	-64.2	176.6	0	0	0	108.4	R346 G358 L359 K360 V465 M490 F491 L494	R346-L356 HydrophobicContact CB-CD2 4.29Å; R346-L356 HydrophobicContact CG-CD2 4.2Å; L356-G358 PolarHBondContact O-N 3.1Å; L356-G358 VanDerWaalsContact O-N 3.17Å; L356-L359 HydrophobicContact CB-CB 4.3Å; L356-L359 HydrophobicContact CB-CD1 4.11Å; L356-L359 HydrophobicContact CB-CG 4.16Å; L356-L359 HydrophobicContact CD1-CD1 3.76Å; L356-L359 PolarHBondContact O-N 3.34Å; L356-K360 PolarHBondContact O-N 2.87Å; L356-V465 HydrophobicContact CD1-CG2 4.17Å; L356-V465 HydrophobicContact CD2-CG1 4.39Å; L356-M490 HydrophobicContact CD1-CB 4.3Å; L356-M490 HydrophobicContact CD2-CB 4.11Å; L356-M490 HydrophobicContact CD2-CE 4.11Å; L356-M490 HydrophobicContact CD2-SD 4.34Å; L356-F491 HydrophobicContact CD1-CB 4.01Å; L356-L494 HydrophobicContact CB-CD2 4.17Å; L356-L494 HydrophobicContact CD1-CD2 4.25Å; L356-L494 HydrophobicContact CG-CD2 4.36Å
357	G	92.4	Very high	94.3	Very high	54 Å²	54	63.9 Å²	63.9	56%	0.557	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-53.3	-39.1	-173.6	0	0	0	0	0	113.8	L359 K360	G357-L359 PolarHBondContact O-N 3.34Å; G357-K360 WeakPolarHBondContact O-CB 3.32Å; G357-K360 PolarHBondContact O-N 3.28Å
358	G	92.8	Very high	94.3	Very high	47 Å²	47	72.8 Å²	72.8	49%	0.485	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-70.4	-10.1	178.3	0	0	0	0	0	115.3	L356 C463 G464	L356-G358 PolarHBondContact O-N 3.1Å; L356-G358 VanDerWaalsContact O-N 3.17Å; G358-C463 WeakPolarHBondContact O-CB 3.26Å; G358-G464 CarbonylContact C-O 3.48Å; G358-G464 WeakPolarHBondContact CA-O 3.13Å
359	L	94.9	Very high	94.3	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-109.3	-3.1	175.7	-55.3	-177	0	0	0	112.8	L356 G357 D361 H362 I363 V447 C463 V465 F491	L356-L359 HydrophobicContact CB-CB 4.3Å; L356-L359 HydrophobicContact CB-CD1 4.11Å; L356-L359 HydrophobicContact CB-CG 4.16Å; L356-L359 HydrophobicContact CD1-CD1 3.76Å; L356-L359 PolarHBondContact O-N 3.34Å; G357-L359 PolarHBondContact O-N 3.34Å; L359-D361 VanDerWaalsContact C-N 3.27Å; L359-D361 PolarHBondContact O-N 3.07Å; L359-H362 PolarHBondContact O-N 2.91Å; L359-I363 WeakPolarHBondContact O-CB 3.47Å; L359-I363 PolarHBondContact O-N 3.31Å; L359-V447 HydrophobicContact CD2-CG1 3.72Å; L359-C463 HydrophobicContact CD2-CB 4.03Å; L359-V465 HydrophobicContact CD1-CG2 3.87Å; L359-V465 HydrophobicContact CD2-CG2 4.21Å; L359-V465 HydrophobicContact CG-CG2 3.89Å; L359-F491 HydrophobicContact CD1-CD2 3.67Å; L359-F491 HydrophobicContact CD1-CE2 4.26Å
360	K	92.6	Very high	94.4	Very high	151 Å²	151	76.3 Å²	76.3	66%	0.657	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-40.9	-169.9	-175.8	-177.3	176.7	-173.9	0	113	L356 G357	L356-K360 PolarHBondContact O-N 2.87Å; G357-K360 WeakPolarHBondContact O-CB 3.32Å; G357-K360 PolarHBondContact O-N 3.28Å
361	D	94.1	Very high	94.6	Very high	142 Å²	142	71.9 Å²	71.9	76%	0.759	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-17.9	-176	-59.6	-33.8	0	0	0	112.9	L359	L359-D361 VanDerWaalsContact C-N 3.27Å; L359-D361 PolarHBondContact O-N 3.07Å
362	H	95.5	Very high	94.8	Very high	53 Å²	53	67.8 Å²	67.8	25%	0.245	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-11	-175.4	-66.3	-79	0	0	0	114.2	L359 K364 E365 I366 C463	L359-H362 PolarHBondContact O-N 2.91Å; H362-K364 VanDerWaalsContact C-N 3.27Å; H362-K364 PolarHBondContact O-N 3.24Å; H362-E365 IonicContact ND1-OE2 3.16Å; H362-E365 WeakPolarHBondContact O-CA 3.33Å; H362-E365 WeakPolarHBondContact O-CB 3.47Å; H362-E365 PolarHBondContact O-N 3.44Å; H362-I366 HydrophobicContact CB-CD1 4.35Å; H362-I366 WeakPolarHBondContact O-CG1 3.24Å; H362-I366 PolarHBondContact O-N 3Å; H362-C463 HydrophobicContact CB-CB 4.28Å
363	I	93.9	Very high	95.1	Very high	23 Å²	23	65.8 Å²	65.8	12%	0.118	33%	0.326	C	S	.	.	H	α-helix	trans	-58.4	-37.1	-173.5	-167.8	59.5	0	0	0	113.2	L359 E365 I366 Q367 F491 L494 M495	L359-I363 WeakPolarHBondContact O-CB 3.47Å; L359-I363 PolarHBondContact O-N 3.31Å; I363-E365 VanDerWaalsContact C-N 3.28Å; I363-E365 PolarHBondContact O-N 3.27Å; I363-I366 PolarHBondContact O-N 3.2Å; I363-Q367 WeakPolarHBondContact O-CB 3.24Å; I363-Q367 VanDerWaalsContact O-CG 3.27Å; I363-Q367 WeakPolarHBondContact O-CG 3.24Å; I363-Q367 PolarHBondContact O-N 2.94Å; I363-F491 HydrophobicContact CD1-CE2 4.29Å; I363-L494 HydrophobicContact CD1-CD2 3.54Å; I363-L494 HydrophobicContact CD1-CG 3.85Å; I363-L494 HydrophobicContact CG1-CD2 3.86Å; I363-L494 HydrophobicContact CG1-CG 3.98Å; I363-M495 HydrophobicContact CD1-SD 3.71Å
364	K	93.4	Very high	95.3	Very high	151 Å²	151	63.6 Å²	63.6	66%	0.657	31%	0.313	S	S	*	.	H	α-helix	trans	-68.3	-29	177.7	-67.4	-174.9	179.5	179.6	0	112.8	H362 R368	H362-K364 VanDerWaalsContact C-N 3.27Å; H362-K364 PolarHBondContact O-N 3.24Å; K364-R368 WeakPolarHBondContact O-CD 3.39Å; K364-R368 WeakPolarHBondContact O-CG 3.3Å
365	E	94.6	Very high	95.4	Very high	105 Å²	105	63.4 Å²	63.4	49%	0.491	31%	0.312	S	S	.	.	H	α-helix	trans	-76.3	-46.1	175.2	-171.5	172.9	-161.5	0	0	109.9	H362 I363 Q367 R368 C369 L445	H362-E365 IonicContact ND1-OE2 3.16Å; H362-E365 WeakPolarHBondContact O-CA 3.33Å; H362-E365 WeakPolarHBondContact O-CB 3.47Å; H362-E365 PolarHBondContact O-N 3.44Å; I363-E365 VanDerWaalsContact C-N 3.28Å; I363-E365 PolarHBondContact O-N 3.27Å; E365-Q367 VanDerWaalsContact C-N 3.27Å; E365-Q367 PolarHBondContact O-N 2.74Å; E365-R368 WeakPolarHBondContact O-CB 3.3Å; E365-R368 PolarHBondContact O-N 3.45Å; E365-C369 PolarHBondContact O-N 3Å; E365-C369 PolarHBondContact O-SG 2.76Å; E365-L445 HydrophobicContact CB-CD1 4.01Å; E365-L445 HydrophobicContact CG-CD1 3.68Å
366	I	95.3	Very high	95.6	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-55	-42	174.3	-66	170.6	0	0	0	111.4	H362 I363 R368 C369 V419 L445 V447 F491 M495	H362-I366 HydrophobicContact CB-CD1 4.35Å; H362-I366 WeakPolarHBondContact O-CG1 3.24Å; H362-I366 PolarHBondContact O-N 3Å; I363-I366 PolarHBondContact O-N 3.2Å; I366-R368 PolarHBondContact O-N 3.08Å; I366-C369 WeakPolarHBondContact O-CB 3.32Å; I366-C369 PolarHBondContact O-N 2.76Å; I366-V419 HydrophobicContact CB-CG2 4.42Å; I366-V419 HydrophobicContact CG1-CG1 4.43Å; I366-V419 HydrophobicContact CG1-CG2 4.37Å; I366-V419 HydrophobicContact CG2-CG1 4.42Å; I366-V419 HydrophobicContact CG2-CG2 4.13Å; I366-L445 HydrophobicContact CD1-CD2 4.12Å; I366-L445 HydrophobicContact CG1-CD1 3.94Å; I366-L445 HydrophobicContact CG1-CD2 3.77Å; I366-V447 HydrophobicContact CD1-CG2 4.18Å; I366-F491 HydrophobicContact CG2-CE2 3.93Å; I366-F491 HydrophobicContact CG2-CZ 3.79Å; I366-M495 HydrophobicContact CG2-CE 4.05Å; I366-M495 HydrophobicContact CG2-SD 3.78Å
367	Q	93.6	Very high	95.6	Very high	75 Å²	75	61.3 Å²	61.3	35%	0.35	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-18.3	177	-76	173	-22.7	0	0	114.4	I363 E365 M495	I363-Q367 WeakPolarHBondContact O-CB 3.24Å; I363-Q367 VanDerWaalsContact O-CG 3.27Å; I363-Q367 WeakPolarHBondContact O-CG 3.24Å; I363-Q367 PolarHBondContact O-N 2.94Å; E365-Q367 VanDerWaalsContact C-N 3.27Å; E365-Q367 PolarHBondContact O-N 2.74Å; Q367-M495 HydrophobicContact CB-CE 4.49Å; Q367-M495 HydrophobicContact CG-CE 3.91Å; Q367-M495 HydrophobicContact CG-SD 3.8Å
368	R	95.2	Very high	95.8	Very high	204 Å²	204	60.4 Å²	60.4	77%	0.77	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-13.9	177.8	-67.1	169.5	-179.9	-177.4	-0.7	113	K364 E365 I366	K364-R368 WeakPolarHBondContact O-CD 3.39Å; K364-R368 WeakPolarHBondContact O-CG 3.3Å; E365-R368 WeakPolarHBondContact O-CB 3.3Å; E365-R368 PolarHBondContact O-N 3.45Å; I366-R368 PolarHBondContact O-N 3.08Å
369	C	95.9	Very high	96	Very high	13 Å²	13	58.7 Å²	58.7	9%	0.088	27%	0.271	C	S	.	.			trans	-70.1	162.8	179	-67.5	0	0	0	0	111.7	E365 I366 D417 V419	E365-C369 PolarHBondContact O-N 3Å; E365-C369 PolarHBondContact O-SG 2.76Å; I366-C369 WeakPolarHBondContact O-CB 3.32Å; I366-C369 PolarHBondContact O-N 2.76Å; C369-D417 WeakPolarHBondContact CA-O 3.28Å; C369-D417 WeakPolarHBondContact CB-O 3.38Å; C369-V419 HydrophobicContact CB-CG2 3.4Å; C369-V419 VanDerWaalsContact CB-CG2 3.4Å; C369-V419 WeakPolarHBondContact SG-CG2 3.18Å
370	R	96.4	Very high	96.2	Very high	180 Å²	180	59.2 Å²	59.2	68%	0.679	28%	0.275	S	S	*	.	S	Bend	trans	-109.4	-11.5	-171.1	-63.1	-166.9	-178.9	167.1	-4.3	114.4	P398 D417	R370-P398 VanDerWaalsContact O-CD 3.25Å; R370-P398 WeakPolarHBondContact O-CD 3.45Å; R370-D417 VanDerWaalsContact CD-OD2 3.23Å; R370-D417 WeakPolarHBondContact CD-OD2 3.38Å; R370-D417 WeakPolarHBondContact CG-OD2 3.42Å; R370-D417 PolarHBondContact N-O 3.47Å; R370-D417 IonicContact NE-OD2 3.79Å
371	R	98.1	Very high	96.5	Very high	50 Å²	50	54.5 Å²	54.5	19%	0.189	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	142.6	-174.6	179.8	168.7	70.2	159.1	7.9	111	I373 P398 M400 P413 D418 V419	R371-I373 HydrophobicContact CG-CG1 4.33Å; R371-P398 HydrophobicContact CG-CB 4.33Å; R371-M400 HydrophobicContact CG-CE 4.37Å; R371-M400 VanDerWaalsContact CZ-CE 3.41Å; R371-M400 VanDerWaalsContact NH1-CE 3.26Å; R371-P413 PolarHBondContact NH2-O 2.84Å; R371-P413 VanDerWaalsContact NH2-O 3.1Å; R371-D418 WeakPolarHBondContact CB-OD1 2.93Å; R371-D418 IonicContact CZ-OD1 3.69Å; R371-D418 IonicContact CZ-OD2 3.79Å; R371-D418 IonicContact NE-OD1 3.03Å; R371-D418 PolarHBondContact NE-OD1 3.17Å; R371-D418 IonicContact NE-OD2 3.09Å; R371-D418 IonicContact NH2-OD1 3.92Å; R371-D418 PolarHBondContact NH2-OD1 3.05Å; R371-D418 IonicContact NH2-OD2 2.7Å; R371-D418 PolarHBondContact NH2-OD2 3.11Å; R371-V419 PolarHBondContact O-N 3.07Å
372	L	98.6	Very high	96.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	135.3	172.5	-54	-175.3	0	0	0	109.2	T395 L397 P398 V399 M400 V419 F421 F491	L372-T395 HydrophobicContact CD1-CG2 4.12Å; L372-L397 HydrophobicContact CD2-CD1 3.96Å; L372-L397 HydrophobicContact CG-CB 4.31Å; L372-L397 HydrophobicContact CG-CD1 4.04Å; L372-P398 PolarHBondContact N-O 3Å; L372-V399 HydrophobicContact CB-CG1 4.38Å; L372-V399 HydrophobicContact CB-CG2 4.24Å; L372-V399 HydrophobicContact CD1-CG2 4.16Å; L372-V399 WeakPolarHBondContact O-CA 3.09Å; L372-M400 PolarHBondContact O-N 2.69Å; L372-V419 WeakPolarHBondContact CA-O 3.1Å; L372-V419 HydrophobicContact CD2-CB 3.75Å; L372-V419 HydrophobicContact CD2-CG1 4.28Å; L372-V419 HydrophobicContact CD2-CG2 4.23Å; L372-F421 HydrophobicContact CD2-CE2 4.25Å; L372-F491 HydrophobicContact CD1-CE1 4.05Å
373	I	98.7	Very high	96.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	112.9	175.4	-45.6	-175.5	0	0	0	108	R371 I375 M400 E402 F407 D418 V419 C420 F421	R371-I373 HydrophobicContact CG-CG1 4.33Å; I373-I375 HydrophobicContact CG2-CD1 4.09Å; I373-I375 HydrophobicContact CG2-CG1 3.82Å; I373-M400 CarbonylContact C-O 3.11Å; I373-M400 WeakPolarHBondContact CA-O 3.45Å; I373-M400 HydrophobicContact CB-CE 4.49Å; I373-M400 HydrophobicContact CD1-CE 3.49Å; I373-M400 VanDerWaalsContact CD1-CE 3.49Å; I373-M400 HydrophobicContact CG1-CE 3.6Å; I373-M400 HydrophobicContact CG2-CB 4.4Å; I373-M400 HydrophobicContact CG2-CE 4.25Å; I373-E402 HydrophobicContact CG2-CG 4.27Å; I373-F407 HydrophobicContact CG2-CE2 4.34Å; I373-D418 HydrophobicContact CD1-CB 4.16Å; I373-V419 PolarHBondContact N-O 3.45Å; I373-C420 CarbonylContact O-C 3.6Å; I373-C420 WeakPolarHBondContact O-CA 3.44Å; I373-F421 PolarHBondContact O-N 2.92Å
374	L	98.8	Very high	97	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	117.2	175.7	-48.2	-174.1	0	0	0	108.9	L391 V399 M400 V401 E402 F421 I423	L374-L391 HydrophobicContact CD1-CD1 3.78Å; L374-L391 HydrophobicContact CD2-CD1 4.45Å; L374-V399 HydrophobicContact CD1-CG1 4.17Å; L374-V399 HydrophobicContact CG-CG1 4.13Å; L374-M400 PolarHBondContact N-O 3.25Å; L374-V401 HydrophobicContact CB-CG1 4.25Å; L374-V401 HydrophobicContact CB-CG2 4.35Å; L374-V401 HydrophobicContact CD1-CG2 4.05Å; L374-V401 HydrophobicContact CG-CG2 4.37Å; L374-V401 CarbonylContact O-C 3.57Å; L374-V401 WeakPolarHBondContact O-CA 3.45Å; L374-E402 PolarHBondContact O-N 3.03Å; L374-F421 HydrophobicContact CD2-CB 3.49Å; L374-F421 VanDerWaalsContact CD2-CB 3.49Å; L374-F421 HydrophobicContact CD2-CD2 3.72Å; L374-F421 HydrophobicContact CD2-CG 3.66Å; L374-I423 HydrophobicContact CB-CD1 4.26Å
375	I	98.8	Very high	97.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.6	-176	-56.2	169.1	0	0	0	108.8	I373 A404 F407 C420 F421 F422 I423 A435	I373-I375 HydrophobicContact CG2-CD1 4.09Å; I373-I375 HydrophobicContact CG2-CG1 3.82Å; I375-A404 HydrophobicContact CG2-CB 3.66Å; I375-F407 HydrophobicContact CD1-CD1 4.31Å; I375-F407 HydrophobicContact CD1-CD2 4.32Å; I375-F407 HydrophobicContact CD1-CE1 3.92Å; I375-F407 HydrophobicContact CD1-CE2 3.92Å; I375-F407 HydrophobicContact CD1-CG 4.49Å; I375-F407 HydrophobicContact CD1-CZ 3.7Å; I375-F407 HydrophobicContact CG1-CE2 4.48Å; I375-C420 HydrophobicContact CD1-CB 4.49Å; I375-F421 PolarHBondContact N-O 2.69Å; I375-F422 HydrophobicContact CB-CD1 4.09Å; I375-F422 HydrophobicContact CB-CE1 4.01Å; I375-F422 HydrophobicContact CD1-CE1 3.65Å; I375-F422 HydrophobicContact CD1-CZ 3.92Å; I375-F422 HydrophobicContact CG1-CE1 4.39Å; I375-F422 HydrophobicContact CG2-CD1 4.36Å; I375-F422 HydrophobicContact CG2-CE1 4.24Å; I375-F422 WeakPolarHBondContact O-CA 3.36Å; I375-I423 PolarHBondContact O-N 3.33Å; I375-I423 VanDerWaalsContact O-N 3.15Å; I375-A435 HydrophobicContact CG2-CB 3.77Å
376	A	98	Very high	97.4	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	177.6	-178.5	0	0	0	0	0	112.2	E402 L403 A404 I423	A376-E402 PolarHBondContact N-O 3.42Å; A376-L403 WeakPolarHBondContact O-CA 3.29Å; A376-A404 PolarHBondContact O-N 3.37Å; A376-I423 HydrophobicContact CB-CB 3.99Å; A376-I423 WeakPolarHBondContact CB-O 3.43Å
377	C	96.7	Very high	97.6	Very high	36 Å²	36	34.3 Å²	34.3	24%	0.243	16%	0.158	C	C	.	.			trans	-124.7	151.1	173.1	-59.2	0	0	0	0	111.2	T379 S380 Y381 T429	C377-T379 PolarHBondContact O-N 2.85Å; C377-S380 PolarHBondContact O-N 3.14Å; C377-Y381 PolarHBondContact O-N 2.93Å; C377-T429 HydrophobicContact CB-CG2 4.28Å
378	G	95.8	Very high	97.8	Very high	35 Å²	35	36.2 Å²	36.2	36%	0.361	16%	0.162	S	C	.	.	H	α-helix	trans	54.6	-132.6	171.4	0	0	0	0	0	114.4	S380 Y381 H382	G378-S380 PolarHBondContact O-N 2.62Å; G378-Y381 WeakPolarHBondContact O-CB 3.48Å; G378-Y381 PolarHBondContact O-N 3.23Å; G378-H382 PolarHBondContact O-N 2.71Å
379	T	97.8	Very high	98	Very high	11 Å²	11	29.3 Å²	29.3	7%	0.067	14%	0.139	C	C	.	.	H	α-helix	trans	-57.1	-32.9	179.1	-66.5	0	0	0	0	113.3	C377 Y381 H382 A383 Y481 E558 K562	C377-T379 PolarHBondContact O-N 2.85Å; T379-Y381 VanDerWaalsContact C-N 3.34Å; T379-Y381 PolarHBondContact O-N 2.86Å; T379-H382 WeakPolarHBondContact O-CB 3.16Å; T379-H382 PolarHBondContact O-N 3.16Å; T379-H382 VanDerWaalsContact O-N 3.16Å; T379-A383 PolarHBondContact O-N 3.49Å; T379-Y481 HydrophobicContact CG2-CD2 3.66Å; T379-Y481 HydrophobicContact CG2-CG 3.96Å; T379-E558 WeakPolarHBondContact CA-OE2 3.41Å; T379-E558 WeakPolarHBondContact CB-OE2 3.41Å; T379-E558 VanDerWaalsContact CG2-OE1 3.3Å; T379-E558 WeakPolarHBondContact CG2-OE1 3.31Å; T379-E558 WeakPolarHBondContact CG2-OE2 3.36Å; T379-E558 PolarHBondContact OG1-OE1 3.42Å; T379-E558 VanDerWaalsContact OG1-OE1 3.08Å; T379-E558 PolarHBondContact OG1-OE2 2.81Å; T379-K562 PolarHBondContact OG1-NZ 3.43Å; T379-K562 VanDerWaalsContact OG1-NZ 3.09Å
380	S	98.1	Very high	98.1	Very high	12 Å²	12	28.7 Å²	28.7	8%	0.084	14%	0.135	C	C	.	.	H	α-helix	trans	-70.1	-30.1	176	-72.1	0	0	0	0	113.1	C377 G378 A383 G384 I423 Q484	C377-S380 PolarHBondContact O-N 3.14Å; G378-S380 PolarHBondContact O-N 2.62Å; S380-A383 PolarHBondContact O-N 2.63Å; S380-G384 PolarHBondContact O-N 3Å; S380-I423 VanDerWaalsContact CB-O 3.32Å; S380-I423 WeakPolarHBondContact CB-O 3.29Å; S380-Q484 PolarHBondContact OG-NE2 3.11Å; S380-Q484 PolarHBondContact OG-OE1 3.22Å
381	Y	98.5	Very high	98.2	Very high	52 Å²	52	20.1 Å²	20.1	20%	0.204	10%	0.103	C	C	.	.	H	α-helix	trans	-65.6	-41.3	168.2	166.3	-94.1	0	0	0	111	C377 G378 T379 A383 G384 V385 V401 L403	C377-Y381 PolarHBondContact O-N 2.93Å; G378-Y381 WeakPolarHBondContact O-CB 3.48Å; G378-Y381 PolarHBondContact O-N 3.23Å; T379-Y381 VanDerWaalsContact C-N 3.34Å; T379-Y381 PolarHBondContact O-N 2.86Å; Y381-A383 VanDerWaalsContact C-N 3.27Å; Y381-A383 PolarHBondContact O-N 2.86Å; Y381-G384 WeakPolarHBondContact O-CA 3.42Å; Y381-G384 PolarHBondContact O-N 2.73Å; Y381-V385 HydrophobicContact CD1-CG2 4.09Å; Y381-V385 HydrophobicContact CE1-CG2 3.59Å; Y381-V385 HydrophobicContact CE2-CG2 4.26Å; Y381-V385 PolarHBondContact O-N 3.13Å; Y381-V401 HydrophobicContact CD2-CG1 3.77Å; Y381-V401 HydrophobicContact CE2-CB 4.32Å; Y381-V401 HydrophobicContact CE2-CG1 3.6Å; Y381-L403 HydrophobicContact CD1-CD2 3.75Å; Y381-L403 HydrophobicContact CD1-CG 4.29Å; Y381-L403 HydrophobicContact CD2-CD2 3.77Å; Y381-L403 HydrophobicContact CD2-CG 3.89Å; Y381-L403 HydrophobicContact CE1-CD2 4.24Å; Y381-L403 HydrophobicContact CE1-CG 4.32Å; Y381-L403 HydrophobicContact CE2-CD2 4.25Å; Y381-L403 HydrophobicContact CE2-CG 3.91Å; Y381-L403 HydrophobicContact CG-CD2 3.5Å; Y381-L403 VanDerWaalsContact CG-CD2 3.5Å; Y381-L403 HydrophobicContact CG-CG 4.09Å
382	H	98.6	Very high	98.2	Very high	21 Å²	21	21 Å²	21	10%	0.097	11%	0.109	C	C	.	.	H	α-helix	trans	-60.7	-34.4	174.9	-59.5	157	0	0	0	112.8	G378 T379 G384 V385 A386 Y481 E558	G378-H382 PolarHBondContact O-N 2.71Å; T379-H382 WeakPolarHBondContact O-CB 3.16Å; T379-H382 PolarHBondContact O-N 3.16Å; T379-H382 VanDerWaalsContact O-N 3.16Å; H382-G384 VanDerWaalsContact C-N 3.28Å; H382-G384 PolarHBondContact O-N 2.97Å; H382-V385 PolarHBondContact O-N 3.34Å; H382-A386 WeakPolarHBondContact O-CB 3.34Å; H382-A386 PolarHBondContact O-N 3.32Å; H382-Y481 HydrophobicContact CB-CE2 3.94Å; H382-E558 HydrophobicContact CB-CB 4.29Å; H382-E558 IonicContact CE1-OE2 2.62Å; H382-E558 IonicContact CG-OE2 2.69Å; H382-E558 WeakPolarHBondContact ND1-CA 3.36Å; H382-E558 IonicContact ND1-OE2 3.91Å; H382-E558 PolarHBondContact ND1-OE2 3.37Å
383	A	98.4	Very high	98.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.9	-36.7	174	0	0	0	0	0	111.9	T379 S380 Y381 A386 T387 Y481 Q484	T379-A383 PolarHBondContact O-N 3.49Å; S380-A383 PolarHBondContact O-N 2.63Å; Y381-A383 VanDerWaalsContact C-N 3.27Å; Y381-A383 PolarHBondContact O-N 2.86Å; A383-A386 PolarHBondContact O-N 3.18Å; A383-T387 PolarHBondContact O-N 3.35Å; A383-T387 PolarHBondContact O-OG1 3.3Å; A383-Y481 HydrophobicContact CB-CD2 3.93Å; A383-Y481 HydrophobicContact CB-CE2 4.05Å; A383-Q484 HydrophobicContact CB-CB 3.87Å
384	G	98.3	Very high	98.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.4	-44.9	170.8	0	0	0	0	0	112.4	S380 Y381 H382 A386 T387 R388	S380-G384 PolarHBondContact O-N 3Å; Y381-G384 WeakPolarHBondContact O-CA 3.42Å; Y381-G384 PolarHBondContact O-N 2.73Å; H382-G384 VanDerWaalsContact C-N 3.28Å; H382-G384 PolarHBondContact O-N 2.97Å; G384-A386 VanDerWaalsContact C-N 3.3Å; G384-A386 PolarHBondContact O-N 3.02Å; G384-T387 PolarHBondContact O-N 3.07Å; G384-T387 PolarHBondContact O-OG1 2.86Å; G384-R388 WeakPolarHBondContact O-CB 3.35Å; G384-R388 PolarHBondContact O-N 2.87Å
385	V	98.6	Very high	98	Very high	26 Å²	26	23.9 Å²	23.9	16%	0.158	12%	0.122	C	C	.	.	H	α-helix	trans	-61.5	-39.7	175.6	-178.6	0	0	0	0	111.4	Y381 H382 T387 V401 Y553 A554	Y381-V385 HydrophobicContact CD1-CG2 4.09Å; Y381-V385 HydrophobicContact CE1-CG2 3.59Å; Y381-V385 HydrophobicContact CE2-CG2 4.26Å; Y381-V385 PolarHBondContact O-N 3.13Å; H382-V385 PolarHBondContact O-N 3.34Å; V385-T387 VanDerWaalsContact C-N 3.27Å; V385-T387 PolarHBondContact O-N 2.76Å; V385-V401 HydrophobicContact CG2-CG1 4.03Å; V385-Y553 HydrophobicContact CG1-CD1 3.86Å; V385-Y553 HydrophobicContact CG1-CE1 4.28Å; V385-A554 HydrophobicContact CB-CB 4.06Å; V385-A554 HydrophobicContact CG1-CB 3.97Å
386	A	98.4	Very high	98	Very high	2 Å²	2	30 Å²	30	2%	0.017	15%	0.151	C	C	.	.	H	α-helix	trans	-66.5	-30	-178.2	0	0	0	0	0	113.1	H382 A383 G384 F485 A554	H382-A386 WeakPolarHBondContact O-CB 3.34Å; H382-A386 PolarHBondContact O-N 3.32Å; A383-A386 PolarHBondContact O-N 3.18Å; G384-A386 VanDerWaalsContact C-N 3.3Å; G384-A386 PolarHBondContact O-N 3.02Å; A386-F485 HydrophobicContact CB-CD2 3.88Å; A386-F485 HydrophobicContact CB-CE1 4.48Å; A386-F485 HydrophobicContact CB-CE2 3.48Å; A386-F485 VanDerWaalsContact CB-CE2 3.48Å; A386-F485 HydrophobicContact CB-CZ 3.81Å; A386-A554 VanDerWaalsContact CA-CB 3.44Å; A386-A554 HydrophobicContact CB-CB 3.48Å; A386-A554 VanDerWaalsContact CB-CB 3.48Å
387	T	98.6	Very high	97.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-104.6	-9.6	-175.4	53.5	0	0	0	0	113.5	A383 G384 V385 Q389 V390 L391 F485 L488 I489	A383-T387 PolarHBondContact O-N 3.35Å; A383-T387 PolarHBondContact O-OG1 3.3Å; G384-T387 PolarHBondContact O-N 3.07Å; G384-T387 PolarHBondContact O-OG1 2.86Å; V385-T387 VanDerWaalsContact C-N 3.27Å; V385-T387 PolarHBondContact O-N 2.76Å; T387-Q389 VanDerWaalsContact C-N 3.31Å; T387-Q389 PolarHBondContact O-N 2.99Å; T387-V390 WeakPolarHBondContact O-CG1 3.3Å; T387-V390 PolarHBondContact O-N 3.25Å; T387-L391 WeakPolarHBondContact O-CB 3.27Å; T387-L391 WeakPolarHBondContact O-CG 3.29Å; T387-L391 PolarHBondContact O-N 2.91Å; T387-F485 HydrophobicContact CG2-CD1 3.24Å; T387-F485 HydrophobicContact CG2-CE1 3.46Å; T387-F485 VanDerWaalsContact CG2-CE1 3.46Å; T387-F485 HydrophobicContact CG2-CG 3.97Å; T387-F485 HydrophobicContact CG2-CZ 4.39Å; T387-L488 HydrophobicContact CG2-CB 3.9Å; T387-L488 HydrophobicContact CG2-CD1 4.26Å; T387-L488 VanDerWaalsContact OG1-CD1 3.28Å; T387-L488 WeakPolarHBondContact OG1-CD1 3.4Å; T387-I489 HydrophobicContact CG2-CG1 4.38Å
388	R	98.6	Very high	98	Very high	115 Å²	115	33.5 Å²	33.5	43%	0.434	17%	0.171	S	C	.	.	H	α-helix	trans	-47.9	-51.7	179.5	-178	-174.6	170.9	167.2	2.2	112.5	G384 V390 L391 E392 V399 V401	G384-R388 WeakPolarHBondContact O-CB 3.35Å; G384-R388 PolarHBondContact O-N 2.87Å; R388-V390 PolarHBondContact O-N 3.1Å; R388-L391 PolarHBondContact O-N 3.47Å; R388-E392 HydrophobicContact CG-CG 4.48Å; R388-E392 IonicContact CZ-OE1 3.25Å; R388-E392 IonicContact NE-OE1 2.72Å; R388-E392 PolarHBondContact NE-OE1 2.61Å; R388-E392 IonicContact NH2-OE1 3.29Å; R388-E392 PolarHBondContact NH2-OE1 2.92Å; R388-E392 WeakPolarHBondContact O-CG 3.34Å; R388-E392 PolarHBondContact O-N 3.06Å; R388-V399 HydrophobicContact CG-CB 4.24Å; R388-V399 HydrophobicContact CG-CG1 4.17Å; R388-V399 PolarHBondContact NE-O 2.62Å; R388-V401 HydrophobicContact CB-CG2 4Å; R388-V401 HydrophobicContact CG-CG2 4.01Å
389	Q	98.3	Very high	98.2	Very high	59 Å²	59	32 Å²	32	28%	0.276	16%	0.155	S	C	.	.	H	α-helix	trans	-63.6	-42.3	-174.5	179.3	171.2	-8.2	0	0	112.6	T387 E392 E393 Y551 H601	T387-Q389 VanDerWaalsContact C-N 3.31Å; T387-Q389 PolarHBondContact O-N 2.99Å; Q389-E392 PolarHBondContact O-N 3.2Å; Q389-E393 WeakPolarHBondContact O-CB 3.45Å; Q389-E393 PolarHBondContact O-N 3.16Å; Q389-Y551 HydrophobicContact CB-CD1 4.28Å; Q389-Y551 HydrophobicContact CB-CE1 3.75Å; Q389-Y551 HydrophobicContact CG-CE1 3.79Å; Q389-H601 PolarHBondContact NE2-NE2 3.35Å
390	V	98.3	Very high	98.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-75	-29.5	179.3	63.9	0	0	0	0	111.9	T387 R388 E393 L394 I489 I509 Y551 C647	T387-V390 WeakPolarHBondContact O-CG1 3.3Å; T387-V390 PolarHBondContact O-N 3.25Å; R388-V390 PolarHBondContact O-N 3.1Å; V390-E393 PolarHBondContact O-N 3.3Å; V390-L394 HydrophobicContact CG2-CD1 3.79Å; V390-L394 HydrophobicContact CG2-CG 4.06Å; V390-L394 WeakPolarHBondContact O-CB 3.27Å; V390-L394 WeakPolarHBondContact O-CG 3.48Å; V390-L394 PolarHBondContact O-N 2.78Å; V390-I489 HydrophobicContact CG1-CG1 4.2Å; V390-I509 HydrophobicContact CG2-CD1 4.45Å; V390-Y551 HydrophobicContact CB-CE1 4.44Å; V390-C647 HydrophobicContact CB-CB 3.91Å; V390-C647 HydrophobicContact CG1-CB 4.41Å; V390-C647 HydrophobicContact CG2-CB 3.93Å
391	L	98.4	Very high	98.2	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-65.3	-46	170.4	-71.6	165.4	0	0	0	110.7	L374 T387 R388 E393 T395 V399 F491 A492	L374-L391 HydrophobicContact CD1-CD1 3.78Å; L374-L391 HydrophobicContact CD2-CD1 4.45Å; T387-L391 WeakPolarHBondContact O-CB 3.27Å; T387-L391 WeakPolarHBondContact O-CG 3.29Å; T387-L391 PolarHBondContact O-N 2.91Å; R388-L391 PolarHBondContact O-N 3.47Å; L391-E393 VanDerWaalsContact C-N 3.34Å; L391-E393 PolarHBondContact O-N 3.48Å; L391-T395 VanDerWaalsContact O-CB 3.25Å; L391-T395 WeakPolarHBondContact O-CB 3.45Å; L391-T395 VanDerWaalsContact O-CG2 3.28Å; L391-T395 WeakPolarHBondContact O-CG2 3.44Å; L391-T395 PolarHBondContact O-N 2.81Å; L391-T395 PolarHBondContact O-OG1 3.45Å; L391-V399 HydrophobicContact CB-CG1 4.47Å; L391-V399 HydrophobicContact CB-CG2 3.86Å; L391-V399 HydrophobicContact CD1-CG1 4.41Å; L391-F491 HydrophobicContact CD2-CD1 3.67Å; L391-F491 HydrophobicContact CD2-CE1 4.04Å; L391-A492 HydrophobicContact CD2-CB 3.77Å
392	E	98.5	Very high	98.2	Very high	68 Å²	68	33 Å²	33	32%	0.318	16%	0.161	S	C	.	.	H	α-helix	trans	-59	-44.8	173.8	-70.9	169.3	164.7	0	0	110.9	R388 Q389 E396 V399	R388-E392 HydrophobicContact CG-CG 4.48Å; R388-E392 IonicContact CZ-OE1 3.25Å; R388-E392 IonicContact NE-OE1 2.72Å; R388-E392 PolarHBondContact NE-OE1 2.61Å; R388-E392 IonicContact NH2-OE1 3.29Å; R388-E392 PolarHBondContact NH2-OE1 2.92Å; R388-E392 WeakPolarHBondContact O-CG 3.34Å; R388-E392 PolarHBondContact O-N 3.06Å; Q389-E392 PolarHBondContact O-N 3.2Å; E392-E396 VanDerWaalsContact O-CA 3.26Å; E392-E396 WeakPolarHBondContact O-CA 3.21Å; E392-E396 PolarHBondContact O-N 3.45Å; E392-V399 HydrophobicContact CB-CG2 4.47Å; E392-V399 HydrophobicContact CG-CB 3.78Å; E392-V399 HydrophobicContact CG-CG2 3.6Å
393	E	97.8	Very high	98.2	Very high	59 Å²	59	35.2 Å²	35.2	28%	0.276	17%	0.173	S	C	.	.	H	α-helix	trans	-60.5	-51.2	178.9	-175.5	-169.8	150.4	0	0	112.8	Q389 V390 L391 R505 Y551	Q389-E393 WeakPolarHBondContact O-CB 3.45Å; Q389-E393 PolarHBondContact O-N 3.16Å; V390-E393 PolarHBondContact O-N 3.3Å; L391-E393 VanDerWaalsContact C-N 3.34Å; L391-E393 PolarHBondContact O-N 3.48Å; E393-R505 WeakPolarHBondContact OE1-CG 3.4Å; E393-R505 IonicContact OE1-CZ 3.86Å; E393-R505 IonicContact OE1-NE 3.89Å; E393-R505 PolarHBondContact OE1-NE 2.97Å; E393-R505 IonicContact OE1-NH2 3.47Å; E393-R505 IonicContact OE2-NE 3.92Å; E393-R505 IonicContact OE2-NH2 3.08Å; E393-R505 PolarHBondContact OE2-NH2 2.85Å; E393-Y551 PolarHBondContact OE2-OH 2.93Å
394	L	97.7	Very high	98.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-87.2	-28.9	-170.4	-62.6	-176	0	0	0	113.3	V390 A492 L493 C496 R505 I509	V390-L394 HydrophobicContact CG2-CD1 3.79Å; V390-L394 HydrophobicContact CG2-CG 4.06Å; V390-L394 WeakPolarHBondContact O-CB 3.27Å; V390-L394 WeakPolarHBondContact O-CG 3.48Å; V390-L394 PolarHBondContact O-N 2.78Å; L394-A492 HydrophobicContact CB-CB 4.19Å; L394-A492 HydrophobicContact CD1-CB 3.74Å; L394-A492 HydrophobicContact CG-CB 4.49Å; L394-L493 HydrophobicContact CD1-CD2 4.24Å; L394-C496 HydrophobicContact CB-CB 4.24Å; L394-C496 WeakPolarHBondContact O-CB 3.44Å; L394-R505 HydrophobicContact CD2-CG 4.22Å; L394-I509 HydrophobicContact CD1-CD1 4.04Å
395	T	96.9	Very high	98	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.018	19%	0.19	C	C	.	.	H	α-helix	trans	-90.8	-26.5	178.4	72.2	0	0	0	0	112.7	L372 L391 L397 M495 R499	L372-T395 HydrophobicContact CD1-CG2 4.12Å; L391-T395 VanDerWaalsContact O-CB 3.25Å; L391-T395 WeakPolarHBondContact O-CB 3.45Å; L391-T395 VanDerWaalsContact O-CG2 3.28Å; L391-T395 WeakPolarHBondContact O-CG2 3.44Å; L391-T395 PolarHBondContact O-N 2.81Å; L391-T395 PolarHBondContact O-OG1 3.45Å; T395-L397 PolarHBondContact O-N 2.83Å; T395-L397 PolarHBondContact OG1-N 3.4Å; T395-L397 VanDerWaalsContact OG1-N 3.16Å; T395-M495 HydrophobicContact CG2-CB 3.79Å; T395-M495 HydrophobicContact CG2-CE 4.43Å; T395-M495 HydrophobicContact CG2-CG 3.98Å; T395-R499 PolarHBondContact O-NH2 3.43Å
396	E	97.1	Very high	98	Very high	130 Å²	130	39.3 Å²	39.3	61%	0.607	20%	0.198	S	C	*	.			trans	56.3	18.2	-167.3	-66.2	176.4	175.5	0	0	114	E392 R499	E392-E396 VanDerWaalsContact O-CA 3.26Å; E392-E396 WeakPolarHBondContact O-CA 3.21Å; E392-E396 PolarHBondContact O-N 3.45Å; E396-R499 VanDerWaalsContact CG-NH1 3.35Å; E396-R499 IonicContact OE1-NH1 2.81Å; E396-R499 PolarHBondContact OE1-NH1 2.92Å; E396-R499 IonicContact OE2-CZ 3.35Å; E396-R499 IonicContact OE2-NH1 3.21Å; E396-R499 PolarHBondContact OE2-NH1 2.82Å; E396-R499 IonicContact OE2-NH2 3.96Å
397	L	97.5	Very high	97.9	Very high	33 Å²	33	39.2 Å²	39.2	17%	0.173	20%	0.197	C	C	.	.	S	Bend	trans	-93.8	149.8	173.8	-61.3	179.1	0	0	0	110.3	L372 T395 V399 M495	L372-L397 HydrophobicContact CD2-CD1 3.96Å; L372-L397 HydrophobicContact CG-CB 4.31Å; L372-L397 HydrophobicContact CG-CD1 4.04Å; T395-L397 PolarHBondContact O-N 2.83Å; T395-L397 PolarHBondContact OG1-N 3.4Å; T395-L397 VanDerWaalsContact OG1-N 3.16Å; L397-V399 PolarHBondContact O-N 2.65Å; L397-M495 HydrophobicContact CD1-CE 4.5Å
398	P	98.6	Very high	97.8	Very high	77 Å²	77	40.8 Å²	40.8	50%	0.5	21%	0.206	S	C	.	.			trans	-57.8	126.6	163.3	-19.3	31.5	0	0	0	110.3	R370 R371 L372	R370-P398 VanDerWaalsContact O-CD 3.25Å; R370-P398 WeakPolarHBondContact O-CD 3.45Å; R371-P398 HydrophobicContact CG-CB 4.33Å; L372-P398 PolarHBondContact N-O 3Å
399	V	98.6	Very high	97.7	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.018	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	114.9	176.4	-173.5	0	0	0	0	109.1	L372 L374 R388 L391 E392 L397 V401	L372-V399 HydrophobicContact CB-CG1 4.38Å; L372-V399 HydrophobicContact CB-CG2 4.24Å; L372-V399 HydrophobicContact CD1-CG2 4.16Å; L372-V399 WeakPolarHBondContact O-CA 3.09Å; L374-V399 HydrophobicContact CD1-CG1 4.17Å; L374-V399 HydrophobicContact CG-CG1 4.13Å; R388-V399 HydrophobicContact CG-CB 4.24Å; R388-V399 HydrophobicContact CG-CG1 4.17Å; R388-V399 PolarHBondContact NE-O 2.62Å; L391-V399 HydrophobicContact CB-CG1 4.47Å; L391-V399 HydrophobicContact CB-CG2 3.86Å; L391-V399 HydrophobicContact CD1-CG1 4.41Å; E392-V399 HydrophobicContact CB-CG2 4.47Å; E392-V399 HydrophobicContact CG-CB 3.78Å; E392-V399 HydrophobicContact CG-CG2 3.6Å; L397-V399 PolarHBondContact O-N 2.65Å; V399-V401 HydrophobicContact CG1-CG2 4.43Å
400	M	98.6	Very high	97.7	Very high	46 Å²	46	44.5 Å²	44.5	23%	0.227	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	139.8	172.1	-58.5	-169.6	-51.2	0	0	109.1	R371 L372 I373 L374	R371-M400 HydrophobicContact CG-CE 4.37Å; R371-M400 VanDerWaalsContact CZ-CE 3.41Å; R371-M400 VanDerWaalsContact NH1-CE 3.26Å; L372-M400 PolarHBondContact O-N 2.69Å; I373-M400 CarbonylContact C-O 3.11Å; I373-M400 WeakPolarHBondContact CA-O 3.45Å; I373-M400 HydrophobicContact CB-CE 4.49Å; I373-M400 HydrophobicContact CD1-CE 3.49Å; I373-M400 VanDerWaalsContact CD1-CE 3.49Å; I373-M400 HydrophobicContact CG1-CE 3.6Å; I373-M400 HydrophobicContact CG2-CB 4.4Å; I373-M400 HydrophobicContact CG2-CE 4.25Å; L374-M400 PolarHBondContact N-O 3.25Å
401	V	98.6	Very high	97.6	Very high	17 Å²	17	49.6 Å²	49.6	10%	0.103	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	119.2	177.3	-169.8	0	0	0	0	107	L374 Y381 V385 R388 V399	L374-V401 HydrophobicContact CB-CG1 4.25Å; L374-V401 HydrophobicContact CB-CG2 4.35Å; L374-V401 HydrophobicContact CD1-CG2 4.05Å; L374-V401 HydrophobicContact CG-CG2 4.37Å; L374-V401 CarbonylContact O-C 3.57Å; L374-V401 WeakPolarHBondContact O-CA 3.45Å; Y381-V401 HydrophobicContact CD2-CG1 3.77Å; Y381-V401 HydrophobicContact CE2-CB 4.32Å; Y381-V401 HydrophobicContact CE2-CG1 3.6Å; V385-V401 HydrophobicContact CG2-CG1 4.03Å; R388-V401 HydrophobicContact CB-CG2 4Å; R388-V401 HydrophobicContact CG-CG2 4.01Å; V399-V401 HydrophobicContact CG1-CG2 4.43Å
402	E	98.4	Very high	97.6	Very high	32 Å²	32	50.1 Å²	50.1	15%	0.15	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.2	-167.2	-63.1	-65.3	162	0	0	110.8	I373 L374 A376 F407 R410	I373-E402 HydrophobicContact CG2-CG 4.27Å; L374-E402 PolarHBondContact O-N 3.03Å; A376-E402 PolarHBondContact N-O 3.42Å; E402-F407 HydrophobicContact CB-CB 4.23Å; E402-F407 HydrophobicContact CB-CD2 4.02Å; E402-F407 HydrophobicContact CG-CD2 4.04Å; E402-R410 IonicContact OE1-NH2 3.27Å; E402-R410 IonicContact OE2-CZ 3.56Å; E402-R410 IonicContact OE2-NH1 3.63Å; E402-R410 IonicContact OE2-NH2 3.68Å; E402-R410 PolarHBondContact OE2-NH2 3.1Å
403	L	98.3	Very high	97.5	Very high	69 Å²	69	50.9 Å²	50.9	36%	0.361	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	127	166.2	-74.6	168.2	0	0	0	108.3	A376 Y381 S405 D406 F407	A376-L403 WeakPolarHBondContact O-CA 3.29Å; Y381-L403 HydrophobicContact CD1-CD2 3.75Å; Y381-L403 HydrophobicContact CD1-CG 4.29Å; Y381-L403 HydrophobicContact CD2-CD2 3.77Å; Y381-L403 HydrophobicContact CD2-CG 3.89Å; Y381-L403 HydrophobicContact CE1-CD2 4.24Å; Y381-L403 HydrophobicContact CE1-CG 4.32Å; Y381-L403 HydrophobicContact CE2-CD2 4.25Å; Y381-L403 HydrophobicContact CE2-CG 3.91Å; Y381-L403 HydrophobicContact CG-CD2 3.5Å; Y381-L403 VanDerWaalsContact CG-CD2 3.5Å; Y381-L403 HydrophobicContact CG-CG 4.09Å; L403-S405 VanDerWaalsContact C-N 3.29Å; L403-S405 PolarHBondContact O-N 3.17Å; L403-D406 PolarHBondContact O-N 2.98Å; L403-F407 VanDerWaalsContact O-CB 3.32Å; L403-F407 WeakPolarHBondContact O-CB 3.11Å; L403-F407 PolarHBondContact O-N 3.46Å
404	A	97.3	Very high	97.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61	-35	-169.8	0	0	0	0	0	113.9	I375 A376 F407 L408 D431 A435	I375-A404 HydrophobicContact CG2-CB 3.66Å; A376-A404 PolarHBondContact O-N 3.37Å; A404-F407 WeakPolarHBondContact O-CB 3.3Å; A404-L408 WeakPolarHBondContact O-CG 3.44Å; A404-L408 PolarHBondContact O-N 2.82Å; A404-D431 HydrophobicContact CB-CB 3.74Å; A404-A435 HydrophobicContact CB-CB 4.41Å
405	S	95.2	Very high	97.6	Very high	50 Å²	50	54 Å²	54	35%	0.35	28%	0.282	S	S	.	.	H	α-helix	trans	-64.2	-55.8	176.5	51.5	0	0	0	0	112.1	L403 F407 L408 D409	L403-S405 VanDerWaalsContact C-N 3.29Å; L403-S405 PolarHBondContact O-N 3.17Å; S405-F407 PolarHBondContact O-N 3.33Å; S405-L408 WeakPolarHBondContact O-CB 3.4Å; S405-L408 PolarHBondContact O-N 2.93Å; S405-L408 VanDerWaalsContact O-N 3.1Å; S405-D409 PolarHBondContact O-N 2.62Å
406	D	97.6	Very high	97.6	Very high	61 Å²	61	63.9 Å²	63.9	33%	0.326	32%	0.319	S	S	.	.	H	α-helix	trans	-63	-32.2	178.3	-175	51.5	0	0	0	112.2	L403 L408 D409 R410	L403-D406 PolarHBondContact O-N 2.98Å; D406-L408 VanDerWaalsContact C-N 3.33Å; D406-L408 PolarHBondContact O-N 3.47Å; D406-D409 PolarHBondContact O-N 3.11Å; D406-R410 WeakPolarHBondContact O-CB 3.35Å; D406-R410 VanDerWaalsContact O-CG 3.28Å; D406-R410 WeakPolarHBondContact O-CG 3.21Å; D406-R410 PolarHBondContact O-N 3.23Å; D406-R410 IonicContact OD2-CZ 2.76Å; D406-R410 IonicContact OD2-NE 3.59Å; D406-R410 IonicContact OD2-NH1 3.88Å; D406-R410 PolarHBondContact OD2-NH1 3.09Å; D406-R410 IonicContact OD2-NH2 2.89Å
407	F	97.9	Very high	97.5	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-59.3	-43.3	174	177.2	-92.1	0	0	0	112.5	I373 I375 E402 L403 A404 S405 T412 V414 A435 Y438	I373-F407 HydrophobicContact CG2-CE2 4.34Å; I375-F407 HydrophobicContact CD1-CD1 4.31Å; I375-F407 HydrophobicContact CD1-CD2 4.32Å; I375-F407 HydrophobicContact CD1-CE1 3.92Å; I375-F407 HydrophobicContact CD1-CE2 3.92Å; I375-F407 HydrophobicContact CD1-CG 4.49Å; I375-F407 HydrophobicContact CD1-CZ 3.7Å; I375-F407 HydrophobicContact CG1-CE2 4.48Å; E402-F407 HydrophobicContact CB-CB 4.23Å; E402-F407 HydrophobicContact CB-CD2 4.02Å; E402-F407 HydrophobicContact CG-CD2 4.04Å; L403-F407 VanDerWaalsContact O-CB 3.32Å; L403-F407 WeakPolarHBondContact O-CB 3.11Å; L403-F407 PolarHBondContact O-N 3.46Å; A404-F407 WeakPolarHBondContact O-CB 3.3Å; S405-F407 PolarHBondContact O-N 3.33Å; F407-T412 VanDerWaalsContact CD2-CB 3.44Å; F407-T412 HydrophobicContact CD2-CG2 3.75Å; F407-T412 WeakPolarHBondContact CD2-OG1 3.48Å; F407-T412 VanDerWaalsContact CE2-CB 3.4Å; F407-T412 HydrophobicContact CE2-CG2 3.55Å; F407-T412 HydrophobicContact CZ-CG2 4.47Å; F407-T412 PolarHBondContact O-N 3.13Å; F407-T412 VanDerWaalsContact O-N 3.16Å; F407-T412 PolarHBondContact O-OG1 3.29Å; F407-V414 HydrophobicContact CE2-CG2 4.22Å; F407-V414 HydrophobicContact CZ-CG2 3.58Å; F407-A435 HydrophobicContact CD1-CB 3.94Å; F407-A435 HydrophobicContact CE1-CB 4.21Å; F407-Y438 AromaticContact CE1-CD1 3.65Å; F407-Y438 HydrophobicContact CE1-CD1 3.65Å; F407-Y438 AromaticContact CE1-CE1 3.96Å; F407-Y438 HydrophobicContact CE1-CE1 3.96Å; F407-Y438 HydrophobicContact CE1-CG 4.46Å; F407-Y438 HydrophobicContact CZ-CD1 4.15Å; F407-Y438 HydrophobicContact CZ-CE1 4.16Å
408	L	95.9	Very high	97.6	Very high	34 Å²	34	59 Å²	59	18%	0.178	30%	0.297	C	S	.	.	H	α-helix	trans	-70.6	-47.4	176.8	-71.2	168	0	0	0	111.2	A404 S405 D406 R410 N411 D431 L434 A435 Y438	A404-L408 WeakPolarHBondContact O-CG 3.44Å; A404-L408 PolarHBondContact O-N 2.82Å; S405-L408 WeakPolarHBondContact O-CB 3.4Å; S405-L408 PolarHBondContact O-N 2.93Å; S405-L408 VanDerWaalsContact O-N 3.1Å; D406-L408 VanDerWaalsContact C-N 3.33Å; D406-L408 PolarHBondContact O-N 3.47Å; L408-R410 VanDerWaalsContact C-N 3.28Å; L408-R410 PolarHBondContact O-N 2.74Å; L408-N411 PolarHBondContact O-N 2.73Å; L408-D431 HydrophobicContact CD1-CB 4.45Å; L408-L434 HydrophobicContact CD1-CB 3.69Å; L408-L434 HydrophobicContact CD1-CD1 4.45Å; L408-L434 HydrophobicContact CD2-CB 4.4Å; L408-A435 HydrophobicContact CD2-CB 4.29Å; L408-A435 HydrophobicContact CG-CB 4.3Å; L408-Y438 HydrophobicContact CD2-CD2 4.35Å; L408-Y438 HydrophobicContact CD2-CG 4.32Å
409	D	96.7	Very high	97.6	Very high	126 Å²	126	55.3 Å²	55.3	67%	0.674	27%	0.273	S	S	*	.	H	α-helix	trans	-56.9	-42.4	-178.6	-72.2	-22	0	0	0	112.1	S405 D406 N411	S405-D409 PolarHBondContact O-N 2.62Å; D406-D409 PolarHBondContact O-N 3.11Å; D409-N411 PolarHBondContact O-N 3.26Å
410	R	97.1	Very high	97.6	Very high	125 Å²	125	55.2 Å²	55.2	47%	0.472	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-4.8	179.6	-61.3	-175.9	-41.5	-153.6	3.9	113.6	E402 D406 L408 T412	E402-R410 IonicContact OE1-NH2 3.27Å; E402-R410 IonicContact OE2-CZ 3.56Å; E402-R410 IonicContact OE2-NH1 3.63Å; E402-R410 IonicContact OE2-NH2 3.68Å; E402-R410 PolarHBondContact OE2-NH2 3.1Å; D406-R410 WeakPolarHBondContact O-CB 3.35Å; D406-R410 VanDerWaalsContact O-CG 3.28Å; D406-R410 WeakPolarHBondContact O-CG 3.21Å; D406-R410 PolarHBondContact O-N 3.23Å; D406-R410 IonicContact OD2-CZ 2.76Å; D406-R410 IonicContact OD2-NE 3.59Å; D406-R410 IonicContact OD2-NH1 3.88Å; D406-R410 PolarHBondContact OD2-NH1 3.09Å; D406-R410 IonicContact OD2-NH2 2.89Å; L408-R410 VanDerWaalsContact C-N 3.28Å; L408-R410 PolarHBondContact O-N 2.74Å; R410-T412 VanDerWaalsContact C-N 3.3Å; R410-T412 PolarHBondContact O-N 3.02Å
411	N	96.4	Very high	97.6	Very high	107 Å²	107	53.1 Å²	53.1	57%	0.572	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.8	56.4	-170.8	-68.8	-79.4	0	0	0	111.1	L408 D409 Y438	L408-N411 PolarHBondContact O-N 2.73Å; D409-N411 PolarHBondContact O-N 3.26Å; N411-Y438 PolarHBondContact O-OH 2.89Å
412	T	98	Very high	97.6	Very high	12 Å²	12	52.3 Å²	52.3	7%	0.074	26%	0.257	C	S	.	.			trans	-55.8	135.6	-169	-57.6	0	0	0	0	111.5	F407 R410 V414 Y438	F407-T412 VanDerWaalsContact CD2-CB 3.44Å; F407-T412 HydrophobicContact CD2-CG2 3.75Å; F407-T412 WeakPolarHBondContact CD2-OG1 3.48Å; F407-T412 VanDerWaalsContact CE2-CB 3.4Å; F407-T412 HydrophobicContact CE2-CG2 3.55Å; F407-T412 HydrophobicContact CZ-CG2 4.47Å; F407-T412 PolarHBondContact O-N 3.13Å; F407-T412 VanDerWaalsContact O-N 3.16Å; F407-T412 PolarHBondContact O-OG1 3.29Å; R410-T412 VanDerWaalsContact C-N 3.3Å; R410-T412 PolarHBondContact O-N 3.02Å; T412-V414 PolarHBondContact O-N 3.22Å; T412-Y438 WeakPolarHBondContact O-CE1 3.37Å; T412-Y438 PolarHBondContact O-OH 2.85Å
413	P	98.1	Very high	97.6	Very high	84 Å²	84	50.8 Å²	50.8	55%	0.545	25%	0.25	S	S	.	.			trans	-66.3	121.2	178.7	-24.1	34.6	0	0	0	113.3	R371 F415	R371-P413 PolarHBondContact NH2-O 2.84Å; R371-P413 VanDerWaalsContact NH2-O 3.1Å; P413-F415 HydrophobicContact CB-CE2 4.32Å; P413-F415 HydrophobicContact CB-CZ 4.22Å
414	V	98.3	Very high	97.5	Very high	14 Å²	14	47.7 Å²	47.7	9%	0.085	23%	0.234	C	C	.	.			trans	-122.3	137.8	177.7	178.7	0	0	0	0	109.4	F407 T412 D418 Y438 C439 R442 A444	F407-V414 HydrophobicContact CE2-CG2 4.22Å; F407-V414 HydrophobicContact CZ-CG2 3.58Å; T412-V414 PolarHBondContact O-N 3.22Å; V414-D418 WeakPolarHBondContact CA-OD2 3.24Å; V414-D418 HydrophobicContact CG1-CB 4.5Å; V414-Y438 HydrophobicContact CG2-CD1 4.4Å; V414-Y438 HydrophobicContact CG2-CE1 3.93Å; V414-C439 HydrophobicContact CG1-CB 4.41Å; V414-R442 HydrophobicContact CB-CB 4.1Å; V414-R442 HydrophobicContact CB-CG 4.28Å; V414-R442 HydrophobicContact CG1-CB 4.06Å; V414-A444 HydrophobicContact CG1-CB 3.61Å
415	F	97.8	Very high	97.4	Very high	111 Å²	111	48.7 Å²	48.7	49%	0.487	24%	0.239	S	C	.	.			trans	-120.3	165.9	-178.1	-54.7	-77.2	0	0	0	111.4	P413 D417 D418	P413-F415 HydrophobicContact CB-CE2 4.32Å; P413-F415 HydrophobicContact CB-CZ 4.22Å; F415-D417 VanDerWaalsContact C-N 3.25Å; F415-D417 VanDerWaalsContact CB-OD1 3.28Å; F415-D417 WeakPolarHBondContact CB-OD1 3.35Å; F415-D417 PolarHBondContact O-N 3.23Å; F415-D418 PolarHBondContact N-OD2 2.57Å; F415-D418 WeakPolarHBondContact O-CB 3.39Å; F415-D418 PolarHBondContact O-N 3.11Å
416	R	96.9	Very high	97.1	Very high	211 Å²	211	46.9 Å²	46.9	80%	0.796	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-22.6	-178	-67.4	-179.6	177.3	167.4	-1.8	113.9	D418 G443	R416-D418 VanDerWaalsContact C-N 3.35Å; R416-G443 WeakPolarHBondContact CA-O 3.47Å
417	D	96.7	Very high	96.8	Very high	57 Å²	57	44 Å²	44	31%	0.305	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	12.2	177.9	60.9	-29.7	0	0	0	113.1	C369 R370 F415	C369-D417 WeakPolarHBondContact CA-O 3.28Å; C369-D417 WeakPolarHBondContact CB-O 3.38Å; R370-D417 VanDerWaalsContact CD-OD2 3.23Å; R370-D417 WeakPolarHBondContact CD-OD2 3.38Å; R370-D417 WeakPolarHBondContact CG-OD2 3.42Å; R370-D417 PolarHBondContact N-O 3.47Å; R370-D417 IonicContact NE-OD2 3.79Å; F415-D417 VanDerWaalsContact C-N 3.25Å; F415-D417 VanDerWaalsContact CB-OD1 3.28Å; F415-D417 WeakPolarHBondContact CB-OD1 3.35Å; F415-D417 PolarHBondContact O-N 3.23Å
418	D	98.3	Very high	96.3	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.016	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	146.2	168.8	-67.8	-36.9	0	0	0	111.2	R371 I373 V414 F415 R416 A444 L445	R371-D418 WeakPolarHBondContact CB-OD1 2.93Å; R371-D418 IonicContact CZ-OD1 3.69Å; R371-D418 IonicContact CZ-OD2 3.79Å; R371-D418 IonicContact NE-OD1 3.03Å; R371-D418 PolarHBondContact NE-OD1 3.17Å; R371-D418 IonicContact NE-OD2 3.09Å; R371-D418 IonicContact NH2-OD1 3.92Å; R371-D418 PolarHBondContact NH2-OD1 3.05Å; R371-D418 IonicContact NH2-OD2 2.7Å; R371-D418 PolarHBondContact NH2-OD2 3.11Å; I373-D418 HydrophobicContact CD1-CB 4.16Å; V414-D418 WeakPolarHBondContact CA-OD2 3.24Å; V414-D418 HydrophobicContact CG1-CB 4.5Å; F415-D418 PolarHBondContact N-OD2 2.57Å; F415-D418 WeakPolarHBondContact O-CB 3.39Å; F415-D418 PolarHBondContact O-N 3.11Å; R416-D418 VanDerWaalsContact C-N 3.35Å; D418-A444 HydrophobicContact CB-CB 4.25Å; D418-L445 PolarHBondContact O-N 2.95Å; D418-L445 VanDerWaalsContact O-N 3.14Å
419	V	98.6	Very high	96	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	115.7	166	-178.8	0	0	0	0	108.4	I366 C369 R371 L372 I373 F421 L445 V447	I366-V419 HydrophobicContact CB-CG2 4.42Å; I366-V419 HydrophobicContact CG1-CG1 4.43Å; I366-V419 HydrophobicContact CG1-CG2 4.37Å; I366-V419 HydrophobicContact CG2-CG1 4.42Å; I366-V419 HydrophobicContact CG2-CG2 4.13Å; C369-V419 HydrophobicContact CB-CG2 3.4Å; C369-V419 VanDerWaalsContact CB-CG2 3.4Å; C369-V419 WeakPolarHBondContact SG-CG2 3.18Å; R371-V419 PolarHBondContact O-N 3.07Å; L372-V419 WeakPolarHBondContact CA-O 3.1Å; L372-V419 HydrophobicContact CD2-CB 3.75Å; L372-V419 HydrophobicContact CD2-CG1 4.28Å; L372-V419 HydrophobicContact CD2-CG2 4.23Å; I373-V419 PolarHBondContact N-O 3.45Å; V419-F421 HydrophobicContact CG1-CD2 4.01Å; V419-F421 HydrophobicContact CG1-CE2 3.55Å; V419-F421 HydrophobicContact CG1-CZ 4.34Å; V419-L445 WeakPolarHBondContact CA-O 3.16Å; V419-L445 HydrophobicContact CG1-CD2 4.14Å; V419-V447 HydrophobicContact CG1-CG2 3.72Å
420	C	98.6	Very high	95.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	115	-178.8	-61.6	0	0	0	0	110.4	I373 I375 F422 C439 L445 T446 V447	I373-C420 CarbonylContact O-C 3.6Å; I373-C420 WeakPolarHBondContact O-CA 3.44Å; I375-C420 HydrophobicContact CD1-CB 4.49Å; C420-F422 HydrophobicContact CB-CE2 3.59Å; C420-F422 HydrophobicContact CB-CZ 3.71Å; C420-F422 WeakPolarHBondContact O-CD2 3.32Å; C420-F422 WeakPolarHBondContact O-CE2 3.25Å; C420-C439 HydrophobicContact CB-CB 4.23Å; C420-C439 VanDerWaalsContact SG-SG 3.65Å; C420-L445 PolarHBondContact N-O 3.07Å; C420-T446 WeakPolarHBondContact O-CA 3.29Å; C420-V447 PolarHBondContact O-N 3.13Å
421	F	98.7	Very high	95.3	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.009	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	131.7	172.7	-77	-101.1	0	0	0	110.6	L372 I373 L374 I375 V419 V447 V449 L488 F491	L372-F421 HydrophobicContact CD2-CE2 4.25Å; I373-F421 PolarHBondContact O-N 2.92Å; L374-F421 HydrophobicContact CD2-CB 3.49Å; L374-F421 VanDerWaalsContact CD2-CB 3.49Å; L374-F421 HydrophobicContact CD2-CD2 3.72Å; L374-F421 HydrophobicContact CD2-CG 3.66Å; I375-F421 PolarHBondContact N-O 2.69Å; V419-F421 HydrophobicContact CG1-CD2 4.01Å; V419-F421 HydrophobicContact CG1-CE2 3.55Å; V419-F421 HydrophobicContact CG1-CZ 4.34Å; F421-V447 CarbonylContact C-O 3.59Å; F421-V447 VanDerWaalsContact CA-O 3.32Å; F421-V447 WeakPolarHBondContact CA-O 3.49Å; F421-V447 HydrophobicContact CD1-CB 3.88Å; F421-V447 HydrophobicContact CD1-CG1 3.83Å; F421-V447 HydrophobicContact CE1-CB 3.88Å; F421-V447 HydrophobicContact CE1-CG1 3.55Å; F421-V447 HydrophobicContact CE1-CG2 4.34Å; F421-V447 HydrophobicContact CE2-CG2 4.39Å; F421-V447 HydrophobicContact CG-CB 4.2Å; F421-V447 HydrophobicContact CZ-CB 4.19Å; F421-V447 HydrophobicContact CZ-CG1 4.15Å; F421-V447 HydrophobicContact CZ-CG2 4.17Å; F421-V449 HydrophobicContact CD1-CG2 3.9Å; F421-V449 HydrophobicContact CE1-CG2 4.45Å; F421-L488 HydrophobicContact CD1-CD2 4.15Å; F421-L488 HydrophobicContact CE1-CD2 4.45Å; F421-F491 HydrophobicContact CE1-CD1 4.24Å; F421-F491 HydrophobicContact CE1-CD2 4.38Å; F421-F491 HydrophobicContact CE1-CE1 4.38Å; F421-F491 HydrophobicContact CE1-CG 4.25Å; F421-F491 AromaticContact CE2-CE1 3.94Å; F421-F491 HydrophobicContact CE2-CE1 3.94Å; F421-F491 AromaticContact CE2-CZ 3.97Å; F421-F491 HydrophobicContact CE2-CZ 3.97Å; F421-F491 AromaticContact CZ-CD1 3.78Å; F421-F491 HydrophobicContact CZ-CD1 3.78Å; F421-F491 AromaticContact CZ-CD2 3.97Å; F421-F491 HydrophobicContact CZ-CD2 3.97Å; F421-F491 AromaticContact CZ-CE1 3.48Å; F421-F491 HydrophobicContact CZ-CE1 3.48Å; F421-F491 VanDerWaalsContact CZ-CE1 3.48Å; F421-F491 AromaticContact CZ-CE2 3.69Å; F421-F491 HydrophobicContact CZ-CE2 3.69Å; F421-F491 HydrophobicContact CZ-CG 4.01Å; F421-F491 AromaticContact CZ-CZ 3.44Å; F421-F491 HydrophobicContact CZ-CZ 3.44Å; F421-F491 VanDerWaalsContact CZ-CZ 3.44Å
422	F	98.6	Very high	95.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	104.1	175.5	-61.4	-83.4	0	0	0	109.1	I375 C420 S432 A435 L436 C439 T446 V447 V449 I457 T461	I375-F422 HydrophobicContact CB-CD1 4.09Å; I375-F422 HydrophobicContact CB-CE1 4.01Å; I375-F422 HydrophobicContact CD1-CE1 3.65Å; I375-F422 HydrophobicContact CD1-CZ 3.92Å; I375-F422 HydrophobicContact CG1-CE1 4.39Å; I375-F422 HydrophobicContact CG2-CD1 4.36Å; I375-F422 HydrophobicContact CG2-CE1 4.24Å; I375-F422 WeakPolarHBondContact O-CA 3.36Å; C420-F422 HydrophobicContact CB-CE2 3.59Å; C420-F422 HydrophobicContact CB-CZ 3.71Å; C420-F422 WeakPolarHBondContact O-CD2 3.32Å; C420-F422 WeakPolarHBondContact O-CE2 3.25Å; F422-S432 WeakPolarHBondContact CD1-O 3.27Å; F422-A435 HydrophobicContact CE1-CB 4.12Å; F422-L436 HydrophobicContact CD1-CB 3.85Å; F422-L436 HydrophobicContact CD2-CB 4.27Å; F422-L436 HydrophobicContact CD2-CD1 3.56Å; F422-L436 HydrophobicContact CD2-CG 4.44Å; F422-L436 HydrophobicContact CE1-CB 3.77Å; F422-L436 HydrophobicContact CE2-CB 4.19Å; F422-L436 HydrophobicContact CE2-CD1 3.39Å; F422-L436 HydrophobicContact CE2-CG 4.39Å; F422-L436 HydrophobicContact CG-CB 4.12Å; F422-L436 HydrophobicContact CG-CD1 4.21Å; F422-L436 HydrophobicContact CZ-CB 3.96Å; F422-L436 HydrophobicContact CZ-CD1 3.93Å; F422-C439 HydrophobicContact CZ-CB 3.93Å; F422-T446 HydrophobicContact CE2-CG2 3.9Å; F422-V447 PolarHBondContact N-O 3.49Å; F422-V449 PolarHBondContact O-N 3.19Å; F422-I457 HydrophobicContact CB-CG2 3.89Å; F422-T461 HydrophobicContact CD2-CG2 4.21Å
423	I	98.4	Very high	95	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	112.2	-175.8	-48.8	162.1	0	0	0	108.3	L374 I375 A376 S380 V449 Q484 L488	L374-I423 HydrophobicContact CB-CD1 4.26Å; I375-I423 PolarHBondContact O-N 3.33Å; I375-I423 VanDerWaalsContact O-N 3.15Å; A376-I423 HydrophobicContact CB-CB 3.99Å; A376-I423 WeakPolarHBondContact CB-O 3.43Å; S380-I423 VanDerWaalsContact CB-O 3.32Å; S380-I423 WeakPolarHBondContact CB-O 3.29Å; I423-V449 HydrophobicContact CG1-CB 4.34Å; I423-V449 HydrophobicContact CG2-CB 4.45Å; I423-V449 HydrophobicContact CG2-CG1 4.41Å; I423-Q484 HydrophobicContact CG2-CB 4.21Å; I423-Q484 VanDerWaalsContact CG2-CD 3.48Å; I423-Q484 HydrophobicContact CG2-CG 3.77Å; I423-L488 HydrophobicContact CD1-CD1 3.76Å
424	S	96.9	Very high	94.7	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.021	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	121.6	-178.6	-176.6	0	0	0	0	111.5	S426 G427 T429 V449 T450	S424-S426 PolarHBondContact O-N 3.49Å; S424-G427 PolarHBondContact O-N 3.16Å; S424-G427 PolarHBondContact OG-N 3.38Å; S424-G427 VanDerWaalsContact OG-N 3.08Å; S424-T429 PolarHBondContact OG-OG1 2.9Å; S424-T429 VanDerWaalsContact OG-OG1 3.09Å; S424-V449 PolarHBondContact N-O 3.34Å; S424-T450 VanDerWaalsContact O-CA 3.25Å; S424-T450 WeakPolarHBondContact O-CA 3.47Å
425	Q	93.9	Very high	94.6	Very high	22 Å²	22	28.1 Å²	28.1	10%	0.103	13%	0.132	C	C	.	.	S	Bend	trans	-57.5	-50.8	176.4	-172.7	-78	-37.5	0	0	111.2	N451 T452 A480	Q425-N451 HydrophobicContact CG-CB 4.16Å; Q425-N451 PolarHBondContact NE2-ND2 3.44Å; Q425-N451 WeakPolarHBondContact O-CA 3.42Å; Q425-N451 VanDerWaalsContact O-CB 3.31Å; Q425-N451 WeakPolarHBondContact O-CB 3.31Å; Q425-N451 PolarHBondContact O-N 3.04Å; Q425-N451 VanDerWaalsContact O-N 3.13Å; Q425-T452 PolarHBondContact O-OG1 3.09Å; Q425-A480 HydrophobicContact CB-CB 4.11Å; Q425-A480 HydrophobicContact CG-CB 3.45Å; Q425-A480 VanDerWaalsContact CG-CB 3.45Å
426	S	89.8	Confident	94.6	Very high	11 Å²	11	22.9 Å²	22.9	8%	0.077	11%	0.109	C	C	.	.	S	Bend	trans	-78.2	-27.5	-177.9	63.6	0	0	0	0	113.5	S424 E428 T429 T452 S455	S424-S426 PolarHBondContact O-N 3.49Å; S426-E428 PolarHBondContact O-N 3.17Å; S426-E428 PolarHBondContact OG-N 3.47Å; S426-T429 PolarHBondContact OG-OG1 3.17Å; S426-T452 WeakPolarHBondContact O-CB 3.2Å; S426-S455 WeakPolarHBondContact O-CB 3.21Å
427	G	91.7	Very high	94.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	67.7	13.5	-171.1	0	0	0	0	0	114.2	S424 S456 I457	S424-G427 PolarHBondContact O-N 3.16Å; S424-G427 PolarHBondContact OG-N 3.38Å; S424-G427 VanDerWaalsContact OG-N 3.08Å; G427-S456 PolarHBondContact O-N 2.86Å; G427-I457 WeakPolarHBondContact O-CG1 3.27Å; G427-I457 PolarHBondContact O-N 2.81Å
428	E	86.4	Confident	94.5	Very high	9 Å²	9	15.7 Å²	15.7	4%	0.042	8%	0.078	C	C	.	.			trans	-127.7	9.1	-176.7	-59.3	-62.3	161.9	0	0	112.4	P206 S426 A430 S455 S456 T683	P206-E428 HydrophobicContact CG-CG 3.93Å; S426-E428 PolarHBondContact O-N 3.17Å; S426-E428 PolarHBondContact OG-N 3.47Å; E428-A430 PolarHBondContact O-N 3.37Å; E428-S455 VanDerWaalsContact OE1-CA 3.27Å; E428-S455 WeakPolarHBondContact OE1-CA 3.38Å; E428-S456 VanDerWaalsContact CD-OG 3.28Å; E428-S456 PolarHBondContact OE1-N 3.14Å; E428-S456 PolarHBondContact OE1-OG 2.91Å; E428-S456 VanDerWaalsContact OE2-CB 3.27Å; E428-S456 WeakPolarHBondContact OE2-CB 3.09Å; E428-S456 PolarHBondContact OE2-OG 2.68Å; E428-T683 HydrophobicContact CB-CG2 3.83Å; E428-T683 WeakPolarHBondContact O-CG2 3.46Å
429	T	89.5	Confident	94.5	Very high	23 Å²	23	15.5 Å²	15.5	14%	0.141	8%	0.077	C	C	.	.			trans	-65.1	122.7	-178.5	-54.3	0	0	0	0	110.1	C377 S424 S426 S432 L433 V682	C377-T429 HydrophobicContact CB-CG2 4.28Å; S424-T429 PolarHBondContact OG-OG1 2.9Å; S424-T429 VanDerWaalsContact OG-OG1 3.09Å; S426-T429 PolarHBondContact OG-OG1 3.17Å; T429-S432 PolarHBondContact O-N 2.89Å; T429-L433 WeakPolarHBondContact O-CB 3.49Å; T429-L433 PolarHBondContact O-N 3.24Å; T429-V682 VanDerWaalsContact CA-O 3.31Å; T429-V682 WeakPolarHBondContact CA-O 3.4Å
430	A	86.2	Confident	94.4	Very high	14 Å²	14	19.5 Å²	19.5	12%	0.116	9%	0.094	C	C	.	.	H	α-helix	trans	-55.9	-58.3	-168.5	0	0	0	0	0	112.8	E428 S432 L433 L434 V682	E428-A430 PolarHBondContact O-N 3.37Å; A430-S432 VanDerWaalsContact C-N 3.28Å; A430-S432 PolarHBondContact O-N 2.82Å; A430-L433 PolarHBondContact O-N 2.97Å; A430-L433 VanDerWaalsContact O-N 3.07Å; A430-L434 WeakPolarHBondContact O-CG 3.37Å; A430-L434 PolarHBondContact O-N 2.77Å; A430-V682 PolarHBondContact N-O 3.22Å
431	D	92.9	Very high	94.3	Very high	44 Å²	44	26.7 Å²	26.7	24%	0.235	13%	0.128	C	C	.	.	H	α-helix	trans	-58.3	-40.1	179.8	-59.9	-32.1	0	0	0	112.5	A404 L408 L433 L434 A435	A404-D431 HydrophobicContact CB-CB 3.74Å; L408-D431 HydrophobicContact CD1-CB 4.45Å; D431-L433 VanDerWaalsContact C-N 3.35Å; D431-L433 PolarHBondContact O-N 2.83Å; D431-L434 PolarHBondContact O-N 3Å; D431-A435 VanDerWaalsContact O-CB 3.26Å; D431-A435 WeakPolarHBondContact O-CB 3.35Å; D431-A435 PolarHBondContact O-N 3.21Å
432	S	95.5	Very high	94.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-67.7	-35.7	178.7	-53.7	0	0	0	0	112.1	F422 T429 A430 L436	F422-S432 WeakPolarHBondContact CD1-O 3.27Å; T429-S432 PolarHBondContact O-N 2.89Å; A430-S432 VanDerWaalsContact C-N 3.28Å; A430-S432 PolarHBondContact O-N 2.82Å; S432-L436 WeakPolarHBondContact O-CB 3.17Å; S432-L436 PolarHBondContact O-N 3.48Å
433	L	92.6	Very high	94	Very high	15 Å²	15	32.6 Å²	32.6	8%	0.079	16%	0.163	C	C	.	.	H	α-helix	trans	-71.7	-39.8	175.8	-177.1	62.3	0	0	0	111.7	T429 A430 D431 L436 R437 I457	T429-L433 WeakPolarHBondContact O-CB 3.49Å; T429-L433 PolarHBondContact O-N 3.24Å; A430-L433 PolarHBondContact O-N 2.97Å; A430-L433 VanDerWaalsContact O-N 3.07Å; D431-L433 VanDerWaalsContact C-N 3.35Å; D431-L433 PolarHBondContact O-N 2.83Å; L433-L436 HydrophobicContact CD1-CD2 4.17Å; L433-L436 WeakPolarHBondContact O-CB 3.43Å; L433-L436 PolarHBondContact O-N 2.66Å; L433-R437 WeakPolarHBondContact O-CG 3.18Å; L433-R437 PolarHBondContact O-N 3.08Å; L433-I457 HydrophobicContact CB-CG1 4.43Å; L433-I457 HydrophobicContact CD1-CG1 4.05Å
434	L	92.3	Very high	94	Very high	65 Å²	65	32.8 Å²	32.8	34%	0.34	17%	0.165	S	C	.	.	H	α-helix	trans	-64.5	-43.5	173.7	-70.4	175.9	0	0	0	111.1	L408 A430 D431 L436 R437 Y438 E685	L408-L434 HydrophobicContact CD1-CB 3.69Å; L408-L434 HydrophobicContact CD1-CD1 4.45Å; L408-L434 HydrophobicContact CD2-CB 4.4Å; A430-L434 WeakPolarHBondContact O-CG 3.37Å; A430-L434 PolarHBondContact O-N 2.77Å; D431-L434 PolarHBondContact O-N 3Å; L434-L436 VanDerWaalsContact C-N 3.29Å; L434-L436 PolarHBondContact O-N 3.01Å; L434-R437 PolarHBondContact O-N 3.48Å; L434-Y438 WeakPolarHBondContact O-CB 3.2Å; L434-Y438 PolarHBondContact O-N 3Å; L434-E685 VanDerWaalsContact CD1-OE1 3.31Å; L434-E685 WeakPolarHBondContact CD1-OE1 3.33Å
435	A	97.1	Very high	94.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.8	-35.4	174.2	0	0	0	0	0	112.2	I375 A404 F407 L408 F422 D431 Y438 C439	I375-A435 HydrophobicContact CG2-CB 3.77Å; A404-A435 HydrophobicContact CB-CB 4.41Å; F407-A435 HydrophobicContact CD1-CB 3.94Å; F407-A435 HydrophobicContact CE1-CB 4.21Å; L408-A435 HydrophobicContact CD2-CB 4.29Å; L408-A435 HydrophobicContact CG-CB 4.3Å; F422-A435 HydrophobicContact CE1-CB 4.12Å; D431-A435 VanDerWaalsContact O-CB 3.26Å; D431-A435 WeakPolarHBondContact O-CB 3.35Å; D431-A435 PolarHBondContact O-N 3.21Å; A435-Y438 WeakPolarHBondContact O-CB 3.35Å; A435-Y438 PolarHBondContact O-N 2.94Å; A435-C439 PolarHBondContact O-N 3.28Å; A435-C439 PolarHBondContact O-SG 3.1Å
436	L	97.7	Very high	94.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.9	-54.2	172.2	170	62.8	0	0	0	111.4	F422 S432 L433 L434 Y438 C439 K440 T446 I457 E460 T461	F422-L436 HydrophobicContact CD1-CB 3.85Å; F422-L436 HydrophobicContact CD2-CB 4.27Å; F422-L436 HydrophobicContact CD2-CD1 3.56Å; F422-L436 HydrophobicContact CD2-CG 4.44Å; F422-L436 HydrophobicContact CE1-CB 3.77Å; F422-L436 HydrophobicContact CE2-CB 4.19Å; F422-L436 HydrophobicContact CE2-CD1 3.39Å; F422-L436 HydrophobicContact CE2-CG 4.39Å; F422-L436 HydrophobicContact CG-CB 4.12Å; F422-L436 HydrophobicContact CG-CD1 4.21Å; F422-L436 HydrophobicContact CZ-CB 3.96Å; F422-L436 HydrophobicContact CZ-CD1 3.93Å; S432-L436 WeakPolarHBondContact O-CB 3.17Å; S432-L436 PolarHBondContact O-N 3.48Å; L433-L436 HydrophobicContact CD1-CD2 4.17Å; L433-L436 WeakPolarHBondContact O-CB 3.43Å; L433-L436 PolarHBondContact O-N 2.66Å; L434-L436 VanDerWaalsContact C-N 3.29Å; L434-L436 PolarHBondContact O-N 3.01Å; L436-Y438 VanDerWaalsContact C-N 3.28Å; L436-Y438 PolarHBondContact O-N 3.25Å; L436-C439 PolarHBondContact O-N 3.44Å; L436-K440 HydrophobicContact CD1-CD 4.19Å; L436-K440 HydrophobicContact CD1-CG 4.11Å; L436-K440 HydrophobicContact CG-CD 4.47Å; L436-K440 WeakPolarHBondContact O-CG 2.97Å; L436-K440 PolarHBondContact O-N 3.14Å; L436-T446 HydrophobicContact CD1-CG2 3.75Å; L436-I457 HydrophobicContact CD2-CB 4.42Å; L436-I457 HydrophobicContact CD2-CG1 4.31Å; L436-I457 HydrophobicContact CD2-CG2 4.37Å; L436-E460 HydrophobicContact CD2-CB 3.64Å; L436-T461 HydrophobicContact CD1-CG2 3.63Å; L436-T461 HydrophobicContact CD2-CG2 3.85Å; L436-T461 HydrophobicContact CG-CG2 4.43Å
437	R	94.7	Very high	94.7	Very high	90 Å²	90	31.6 Å²	31.6	34%	0.34	16%	0.158	S	C	.	.	H	α-helix	trans	-60.4	-41.2	178.8	-68.6	172.1	-179.4	171.5	0.4	111.4	L433 L434 C439 K440 E441 E460	L433-R437 WeakPolarHBondContact O-CG 3.18Å; L433-R437 PolarHBondContact O-N 3.08Å; L434-R437 PolarHBondContact O-N 3.48Å; R437-C439 PolarHBondContact O-N 3.5Å; R437-K440 PolarHBondContact O-N 3.46Å; R437-E441 WeakPolarHBondContact O-CG 3.48Å; R437-E441 PolarHBondContact O-N 2.95Å; R437-E460 WeakPolarHBondContact CG-OE2 3.34Å; R437-E460 IonicContact CZ-OE1 2.75Å; R437-E460 IonicContact CZ-OE2 2.68Å; R437-E460 IonicContact NE-OE1 3.68Å; R437-E460 PolarHBondContact NE-OE1 2.93Å; R437-E460 IonicContact NE-OE2 3.13Å; R437-E460 PolarHBondContact NE-OE2 3.42Å; R437-E460 IonicContact NH2-OE1 3.9Å; R437-E460 PolarHBondContact NH2-OE1 3.3Å; R437-E460 IonicContact NH2-OE2 3.72Å
438	Y	97.2	Very high	95	Very high	27 Å²	27	31.7 Å²	31.7	11%	0.106	16%	0.159	C	C	.	.	H	α-helix	trans	-54.8	-52.9	173.2	178.7	-83.3	0	0	0	111.1	F407 L408 N411 T412 V414 L434 A435 L436 K440 E441 R442	F407-Y438 AromaticContact CE1-CD1 3.65Å; F407-Y438 HydrophobicContact CE1-CD1 3.65Å; F407-Y438 AromaticContact CE1-CE1 3.96Å; F407-Y438 HydrophobicContact CE1-CE1 3.96Å; F407-Y438 HydrophobicContact CE1-CG 4.46Å; F407-Y438 HydrophobicContact CZ-CD1 4.15Å; F407-Y438 HydrophobicContact CZ-CE1 4.16Å; L408-Y438 HydrophobicContact CD2-CD2 4.35Å; L408-Y438 HydrophobicContact CD2-CG 4.32Å; N411-Y438 PolarHBondContact O-OH 2.89Å; T412-Y438 WeakPolarHBondContact O-CE1 3.37Å; T412-Y438 PolarHBondContact O-OH 2.85Å; V414-Y438 HydrophobicContact CG2-CD1 4.4Å; V414-Y438 HydrophobicContact CG2-CE1 3.93Å; L434-Y438 WeakPolarHBondContact O-CB 3.2Å; L434-Y438 PolarHBondContact O-N 3Å; A435-Y438 WeakPolarHBondContact O-CB 3.35Å; A435-Y438 PolarHBondContact O-N 2.94Å; L436-Y438 VanDerWaalsContact C-N 3.28Å; L436-Y438 PolarHBondContact O-N 3.25Å; Y438-K440 PolarHBondContact O-N 2.67Å; Y438-E441 PolarHBondContact O-N 3.24Å; Y438-R442 VanDerWaalsContact CD2-NH2 3.33Å; Y438-R442 VanDerWaalsContact CZ-CZ 3.48Å; Y438-R442 VanDerWaalsContact CZ-NE 3.29Å; Y438-R442 WeakPolarHBondContact O-CD 3.5Å; Y438-R442 PolarHBondContact O-N 2.84Å; Y438-R442 PolarHBondContact O-NH1 2.96Å
439	C	97.7	Very high	95.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.2	-38.7	-180	-67.8	0	0	0	0	113	V414 C420 F422 A435 L436 R437 E441 R442 G443 A444 T446	V414-C439 HydrophobicContact CG1-CB 4.41Å; C420-C439 HydrophobicContact CB-CB 4.23Å; C420-C439 VanDerWaalsContact SG-SG 3.65Å; F422-C439 HydrophobicContact CZ-CB 3.93Å; A435-C439 PolarHBondContact O-N 3.28Å; A435-C439 PolarHBondContact O-SG 3.1Å; L436-C439 PolarHBondContact O-N 3.44Å; R437-C439 PolarHBondContact O-N 3.5Å; C439-E441 VanDerWaalsContact C-N 3.34Å; C439-E441 PolarHBondContact O-N 2.8Å; C439-R442 PolarHBondContact O-N 2.98Å; C439-R442 VanDerWaalsContact O-N 3.1Å; C439-G443 PolarHBondContact O-N 3.15Å; C439-A444 HydrophobicContact CB-CB 4.5Å; C439-A444 PolarHBondContact O-N 3.16Å; C439-T446 HydrophobicContact CB-CG2 4.46Å
440	K	95.9	Very high	95.9	Very high	84 Å²	84	30.6 Å²	30.6	37%	0.365	15%	0.152	S	C	.	.	H	α-helix	trans	-61	-41.5	176.7	-72.3	-166	73.3	164.5	0	112.4	L436 R437 Y438 R442 G443 T446 E460	L436-K440 HydrophobicContact CD1-CD 4.19Å; L436-K440 HydrophobicContact CD1-CG 4.11Å; L436-K440 HydrophobicContact CG-CD 4.47Å; L436-K440 WeakPolarHBondContact O-CG 2.97Å; L436-K440 PolarHBondContact O-N 3.14Å; R437-K440 PolarHBondContact O-N 3.46Å; Y438-K440 PolarHBondContact O-N 2.67Å; K440-R442 PolarHBondContact O-N 2.88Å; K440-G443 PolarHBondContact O-N 3.27Å; K440-T446 HydrophobicContact CG-CG2 3.65Å; K440-E460 VanDerWaalsContact CD-O 3.32Å; K440-E460 WeakPolarHBondContact CD-O 3.21Å; K440-E460 WeakPolarHBondContact CE-O 3.27Å; K440-E460 PolarHBondContact NZ-O 2.9Å
441	E	95.9	Very high	96.3	Very high	151 Å²	151	30.4 Å²	30.4	71%	0.706	15%	0.15	S	C	*	.	H	α-helix	trans	-60.5	-28.3	175.8	-73.8	174.5	176.7	0	0	112.8	R437 Y438 C439 G443	R437-E441 WeakPolarHBondContact O-CG 3.48Å; R437-E441 PolarHBondContact O-N 2.95Å; Y438-E441 PolarHBondContact O-N 3.24Å; C439-E441 VanDerWaalsContact C-N 3.34Å; C439-E441 PolarHBondContact O-N 2.8Å; E441-G443 VanDerWaalsContact C-N 3.33Å
442	R	96.8	Very high	96	Very high	83 Å²	83	29 Å²	29	31%	0.313	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-4.8	176	-71.5	83	-179.1	142.3	6.6	112.7	V414 Y438 C439 K440	V414-R442 HydrophobicContact CB-CB 4.1Å; V414-R442 HydrophobicContact CB-CG 4.28Å; V414-R442 HydrophobicContact CG1-CB 4.06Å; Y438-R442 VanDerWaalsContact CD2-NH2 3.33Å; Y438-R442 VanDerWaalsContact CZ-CZ 3.48Å; Y438-R442 VanDerWaalsContact CZ-NE 3.29Å; Y438-R442 WeakPolarHBondContact O-CD 3.5Å; Y438-R442 PolarHBondContact O-N 2.84Å; Y438-R442 PolarHBondContact O-NH1 2.96Å; C439-R442 PolarHBondContact O-N 2.98Å; C439-R442 VanDerWaalsContact O-N 3.1Å; K440-R442 PolarHBondContact O-N 2.88Å
443	G	95.7	Very high	95.3	Very high	42 Å²	42	33.3 Å²	33.3	43%	0.433	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	23.5	175.9	0	0	0	0	0	114.6	R416 C439 K440 E441	R416-G443 WeakPolarHBondContact CA-O 3.47Å; C439-G443 PolarHBondContact O-N 3.15Å; K440-G443 PolarHBondContact O-N 3.27Å; E441-G443 VanDerWaalsContact C-N 3.33Å
444	A	97.6	Very high	94.5	Very high	5 Å²	5	34 Å²	34	4%	0.041	18%	0.179	C	C	.	.			trans	-72.3	152.2	170.2	0	0	0	0	0	111	V414 D418 C439	V414-A444 HydrophobicContact CG1-CB 3.61Å; D418-A444 HydrophobicContact CB-CB 4.25Å; C439-A444 HydrophobicContact CB-CB 4.5Å; C439-A444 PolarHBondContact O-N 3.16Å
445	L	98.3	Very high	94.2	Very high	12 Å²	12	30.9 Å²	30.9	6%	0.063	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	126.7	172.6	-170.9	157.4	0	0	0	109.1	E365 I366 D418 V419 C420 V447	E365-L445 HydrophobicContact CB-CD1 4.01Å; E365-L445 HydrophobicContact CG-CD1 3.68Å; I366-L445 HydrophobicContact CD1-CD2 4.12Å; I366-L445 HydrophobicContact CG1-CD1 3.94Å; I366-L445 HydrophobicContact CG1-CD2 3.77Å; D418-L445 PolarHBondContact O-N 2.95Å; D418-L445 VanDerWaalsContact O-N 3.14Å; V419-L445 WeakPolarHBondContact CA-O 3.16Å; V419-L445 HydrophobicContact CG1-CD2 4.14Å; C420-L445 PolarHBondContact N-O 3.07Å; L445-V447 HydrophobicContact CD2-CG2 3.63Å
446	T	98.4	Very high	93.7	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	130.4	-173.2	61.5	0	0	0	0	112.6	C420 F422 L436 C439 K440 T461 D462 C463	C420-T446 WeakPolarHBondContact O-CA 3.29Å; F422-T446 HydrophobicContact CE2-CG2 3.9Å; L436-T446 HydrophobicContact CD1-CG2 3.75Å; C439-T446 HydrophobicContact CB-CG2 4.46Å; K440-T446 HydrophobicContact CG-CG2 3.65Å; T446-T461 WeakPolarHBondContact OG1-CA 3.48Å; T446-D462 PolarHBondContact N-OD2 3.26Å; T446-D462 PolarHBondContact O-N 3.3Å; T446-D462 VanDerWaalsContact O-N 3.15Å; T446-D462 VanDerWaalsContact OG1-CG 3.31Å; T446-D462 PolarHBondContact OG1-N 3Å; T446-D462 PolarHBondContact OG1-OD2 3Å; T446-C463 PolarHBondContact O-N 2.73Å
447	V	98.5	Very high	93.5	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	118.6	-178	-171.7	0	0	0	0	110.8	L359 I366 V419 C420 F421 F422 L445 C463	L359-V447 HydrophobicContact CD2-CG1 3.72Å; I366-V447 HydrophobicContact CD1-CG2 4.18Å; V419-V447 HydrophobicContact CG1-CG2 3.72Å; C420-V447 PolarHBondContact O-N 3.13Å; F421-V447 CarbonylContact C-O 3.59Å; F421-V447 VanDerWaalsContact CA-O 3.32Å; F421-V447 WeakPolarHBondContact CA-O 3.49Å; F421-V447 HydrophobicContact CD1-CB 3.88Å; F421-V447 HydrophobicContact CD1-CG1 3.83Å; F421-V447 HydrophobicContact CE1-CB 3.88Å; F421-V447 HydrophobicContact CE1-CG1 3.55Å; F421-V447 HydrophobicContact CE1-CG2 4.34Å; F421-V447 HydrophobicContact CE2-CG2 4.39Å; F421-V447 HydrophobicContact CG-CB 4.2Å; F421-V447 HydrophobicContact CZ-CB 4.19Å; F421-V447 HydrophobicContact CZ-CG1 4.15Å; F421-V447 HydrophobicContact CZ-CG2 4.17Å; F422-V447 PolarHBondContact N-O 3.49Å; L445-V447 HydrophobicContact CD2-CG2 3.63Å; V447-C463 CarbonylContact C-O 3.52Å; V447-C463 VanDerWaalsContact CA-O 3.3Å; V447-C463 WeakPolarHBondContact CA-O 3.36Å
448	G	98.1	Very high	93.4	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	126.6	176.7	0	0	0	0	0	112.7	C463 G464 V465	G448-C463 PolarHBondContact N-O 3.35Å; G448-G464 CarbonylContact O-C 3.57Å; G448-G464 WeakPolarHBondContact O-CA 3.29Å; G448-V465 PolarHBondContact O-N 3.12Å
449	V	98.1	Very high	92.9	Very high	3 Å²	3	32 Å²	32	2%	0.018	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	94.6	170.1	-178	0	0	0	0	108.3	F421 F422 I423 S424 I467 Q484 A487 L488	F421-V449 HydrophobicContact CD1-CG2 3.9Å; F421-V449 HydrophobicContact CE1-CG2 4.45Å; F422-V449 PolarHBondContact O-N 3.19Å; I423-V449 HydrophobicContact CG1-CB 4.34Å; I423-V449 HydrophobicContact CG2-CB 4.45Å; I423-V449 HydrophobicContact CG2-CG1 4.41Å; S424-V449 PolarHBondContact N-O 3.34Å; V449-I467 HydrophobicContact CG1-CG2 3.56Å; V449-Q484 HydrophobicContact CG1-CG 4.49Å; V449-A487 HydrophobicContact CG1-CB 4.33Å; V449-L488 HydrophobicContact CG2-CD2 4.36Å
450	T	96.6	Very high	92.5	Very high	6 Å²	6	34.3 Å²	34.3	4%	0.037	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	157.3	-167.1	61.5	0	0	0	0	113.7	S424 I457 V465 H466 I467	S424-T450 VanDerWaalsContact O-CA 3.25Å; S424-T450 WeakPolarHBondContact O-CA 3.47Å; T450-I457 HydrophobicContact CG2-CB 4.13Å; T450-I457 HydrophobicContact CG2-CG2 3.76Å; T450-V465 PolarHBondContact N-O 2.81Å; T450-V465 VanDerWaalsContact N-O 3.13Å; T450-H466 CarbonylContact O-C 3.56Å; T450-H466 VanDerWaalsContact O-CA 3.24Å; T450-H466 WeakPolarHBondContact O-CA 3.49Å; T450-H466 PolarHBondContact O-CD2 3.49Å; T450-I467 PolarHBondContact O-N 3.19Å
451	N	94.5	Very high	92.5	Very high	10 Å²	10	31 Å²	31	5%	0.053	17%	0.17	C	C	.	.	S	Bend	trans	-111.4	8	174.5	-164.1	58.6	0	0	0	113.6	Q425 H466 I467 A469 G470	Q425-N451 HydrophobicContact CG-CB 4.16Å; Q425-N451 PolarHBondContact NE2-ND2 3.44Å; Q425-N451 WeakPolarHBondContact O-CA 3.42Å; Q425-N451 VanDerWaalsContact O-CB 3.31Å; Q425-N451 WeakPolarHBondContact O-CB 3.31Å; Q425-N451 PolarHBondContact O-N 3.04Å; Q425-N451 VanDerWaalsContact O-N 3.13Å; N451-H466 VanDerWaalsContact C-NE2 3.29Å; N451-H466 PolarHBondContact O-NE2 3.41Å; N451-I467 HydrophobicContact CB-CD1 3.63Å; N451-I467 HydrophobicContact CB-CG1 3.62Å; N451-I467 WeakPolarHBondContact OD1-CG1 3.18Å; N451-A469 WeakPolarHBondContact OD1-CB 3.34Å; N451-A469 PolarHBondContact OD1-N 2.9Å; N451-G470 PolarHBondContact ND2-O 3.16Å
452	T	86.3	Confident	92.6	Very high	14 Å²	14	27.3 Å²	27.3	9%	0.086	16%	0.156	C	C	.	.	S	Bend	trans	-128.1	114.4	-179.1	-58.8	0	0	0	0	109.4	A264 Q425 S426 S455	A264-T452 HydrophobicContact CB-CG2 3.47Å; A264-T452 VanDerWaalsContact CB-CG2 3.47Å; Q425-T452 PolarHBondContact O-OG1 3.09Å; S426-T452 WeakPolarHBondContact O-CB 3.2Å; T452-S455 WeakPolarHBondContact O-CB 3.31Å; T452-S455 PolarHBondContact O-N 2.85Å; T452-S455 PolarHBondContact O-OG 2.97Å
453	V	81.5	Confident	92.6	Very high	92 Å²	92	23.8 Å²	23.8	56%	0.558	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	134.7	178.4	-177.9	0	0	0	0	109.4	S455	V453-S455 PolarHBondContact O-N 2.85Å
454	G	76.9	Confident	92.6	Very high	28 Å²	28	22.9 Å²	22.9	29%	0.289	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	73	8.9	178.5	0	0	0	0	0	114.7	S458 R459	G454-S458 PolarHBondContact N-OG 3.31Å; G454-R459 WeakPolarHBondContact O-CD 3.47Å; G454-R459 PolarHBondContact O-NE 3.32Å
455	S	85.5	Confident	92.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.135	C	C	.	.			trans	-62.1	157.5	171.3	59.3	0	0	0	0	111.9	S426 E428 T452 V453 I457 S458 R459	S426-S455 WeakPolarHBondContact O-CB 3.21Å; E428-S455 VanDerWaalsContact OE1-CA 3.27Å; E428-S455 WeakPolarHBondContact OE1-CA 3.38Å; T452-S455 WeakPolarHBondContact O-CB 3.31Å; T452-S455 PolarHBondContact O-N 2.85Å; T452-S455 PolarHBondContact O-OG 2.97Å; V453-S455 PolarHBondContact O-N 2.85Å; S455-I457 PolarHBondContact O-N 3.01Å; S455-S458 PolarHBondContact N-OG 3.42Å; S455-S458 PolarHBondContact O-N 3.45Å; S455-S458 VanDerWaalsContact O-N 3.11Å; S455-S458 PolarHBondContact O-OG 2.83Å; S455-S458 WeakPolarHBondContact OG-CB 3.37Å; S455-S458 PolarHBondContact OG-OG 3.33Å; S455-R459 WeakPolarHBondContact O-CG 3.46Å; S455-R459 PolarHBondContact O-N 3.16Å
456	S	86.3	Confident	92.5	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-55.8	-46.9	-178.6	-56.7	0	0	0	0	112.3	G427 E428 S458 R459 E460	G427-S456 PolarHBondContact O-N 2.86Å; E428-S456 VanDerWaalsContact CD-OG 3.28Å; E428-S456 PolarHBondContact OE1-N 3.14Å; E428-S456 PolarHBondContact OE1-OG 2.91Å; E428-S456 VanDerWaalsContact OE2-CB 3.27Å; E428-S456 WeakPolarHBondContact OE2-CB 3.09Å; E428-S456 PolarHBondContact OE2-OG 2.68Å; S456-S458 PolarHBondContact O-N 3.07Å; S456-R459 PolarHBondContact O-N 2.63Å; S456-E460 WeakPolarHBondContact O-CB 3.4Å; S456-E460 WeakPolarHBondContact O-CG 3.43Å; S456-E460 PolarHBondContact O-N 2.91Å
457	I	93.1	Very high	92.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60	-45.8	175.5	-69.4	175	0	0	0	110.7	F422 G427 L433 L436 T450 S455 R459 E460 T461	F422-I457 HydrophobicContact CB-CG2 3.89Å; G427-I457 WeakPolarHBondContact O-CG1 3.27Å; G427-I457 PolarHBondContact O-N 2.81Å; L433-I457 HydrophobicContact CB-CG1 4.43Å; L433-I457 HydrophobicContact CD1-CG1 4.05Å; L436-I457 HydrophobicContact CD2-CB 4.42Å; L436-I457 HydrophobicContact CD2-CG1 4.31Å; L436-I457 HydrophobicContact CD2-CG2 4.37Å; T450-I457 HydrophobicContact CG2-CB 4.13Å; T450-I457 HydrophobicContact CG2-CG2 3.76Å; S455-I457 PolarHBondContact O-N 3.01Å; I457-R459 VanDerWaalsContact C-N 3.25Å; I457-R459 PolarHBondContact O-N 3.14Å; I457-E460 PolarHBondContact O-N 3.1Å; I457-T461 HydrophobicContact CG2-CG2 4.07Å; I457-T461 VanDerWaalsContact O-CG2 3.24Å; I457-T461 WeakPolarHBondContact O-CG2 3.43Å; I457-T461 PolarHBondContact O-N 3.2Å; I457-T461 PolarHBondContact O-OG1 3Å
458	S	91.7	Very high	92.2	Very high	37 Å²	37	28 Å²	28	26%	0.259	16%	0.16	S	C	.	.	H	α-helix	trans	-63.8	-29.2	-178.3	74.7	0	0	0	0	114	G454 S455 S456 T461	G454-S458 PolarHBondContact N-OG 3.31Å; S455-S458 PolarHBondContact N-OG 3.42Å; S455-S458 PolarHBondContact O-N 3.45Å; S455-S458 VanDerWaalsContact O-N 3.11Å; S455-S458 PolarHBondContact O-OG 2.83Å; S455-S458 WeakPolarHBondContact OG-CB 3.37Å; S455-S458 PolarHBondContact OG-OG 3.33Å; S456-S458 PolarHBondContact O-N 3.07Å; S458-T461 PolarHBondContact O-OG1 3.23Å
459	R	87.4	Confident	91.9	Very high	102 Å²	102	28.2 Å²	28.2	39%	0.385	16%	0.161	S	C	.	.	H	α-helix	trans	-86	-35.2	179.7	-71	-176.5	-67.8	167.8	0.5	112.5	G454 S455 S456 I457	G454-R459 WeakPolarHBondContact O-CD 3.47Å; G454-R459 PolarHBondContact O-NE 3.32Å; S455-R459 WeakPolarHBondContact O-CG 3.46Å; S455-R459 PolarHBondContact O-N 3.16Å; S456-R459 PolarHBondContact O-N 2.63Å; I457-R459 VanDerWaalsContact C-N 3.25Å; I457-R459 PolarHBondContact O-N 3.14Å
460	E	90.1	Very high	91.5	Very high	48 Å²	48	28.9 Å²	28.9	22%	0.224	17%	0.169	C	C	.	.	H	α-helix	trans	-84.7	-21.2	-176.7	-71.4	-175.7	-138.9	0	0	112.7	L436 R437 K440 S456 I457	L436-E460 HydrophobicContact CD2-CB 3.64Å; R437-E460 WeakPolarHBondContact CG-OE2 3.34Å; R437-E460 IonicContact CZ-OE1 2.75Å; R437-E460 IonicContact CZ-OE2 2.68Å; R437-E460 IonicContact NE-OE1 3.68Å; R437-E460 PolarHBondContact NE-OE1 2.93Å; R437-E460 IonicContact NE-OE2 3.13Å; R437-E460 PolarHBondContact NE-OE2 3.42Å; R437-E460 IonicContact NH2-OE1 3.9Å; R437-E460 PolarHBondContact NH2-OE1 3.3Å; R437-E460 IonicContact NH2-OE2 3.72Å; K440-E460 VanDerWaalsContact CD-O 3.32Å; K440-E460 WeakPolarHBondContact CD-O 3.21Å; K440-E460 WeakPolarHBondContact CE-O 3.27Å; K440-E460 PolarHBondContact NZ-O 2.9Å; S456-E460 WeakPolarHBondContact O-CB 3.4Å; S456-E460 WeakPolarHBondContact O-CG 3.43Å; S456-E460 PolarHBondContact O-N 2.91Å; I457-E460 PolarHBondContact O-N 3.1Å
461	T	96.3	Very high	91.1	Very high	13 Å²	13	29.3 Å²	29.3	8%	0.08	17%	0.171	C	C	.	.	S	Bend	trans	-74.3	150.9	175.1	51.1	0	0	0	0	113	F422 L436 T446 I457 S458 C463	F422-T461 HydrophobicContact CD2-CG2 4.21Å; L436-T461 HydrophobicContact CD1-CG2 3.63Å; L436-T461 HydrophobicContact CD2-CG2 3.85Å; L436-T461 HydrophobicContact CG-CG2 4.43Å; T446-T461 WeakPolarHBondContact OG1-CA 3.48Å; I457-T461 HydrophobicContact CG2-CG2 4.07Å; I457-T461 VanDerWaalsContact O-CG2 3.24Å; I457-T461 WeakPolarHBondContact O-CG2 3.43Å; I457-T461 PolarHBondContact O-N 3.2Å; I457-T461 PolarHBondContact O-OG1 3Å; S458-T461 PolarHBondContact O-OG1 3.23Å; T461-C463 WeakPolarHBondContact CB-O 3.47Å; T461-C463 PolarHBondContact OG1-O 3.36Å
462	D	96.8	Very high	90.8	Very high	74 Å²	74	29 Å²	29	40%	0.396	17%	0.17	S	C	.	.	S	Bend	trans	-67.5	-38.8	179.5	-53.9	-56.7	0	0	0	111.7	T446	T446-D462 PolarHBondContact N-OD2 3.26Å; T446-D462 PolarHBondContact O-N 3.3Å; T446-D462 VanDerWaalsContact O-N 3.15Å; T446-D462 VanDerWaalsContact OG1-CG 3.31Å; T446-D462 PolarHBondContact OG1-N 3Å; T446-D462 PolarHBondContact OG1-OD2 3Å
463	C	96.8	Very high	90.9	Very high	10 Å²	10	28.9 Å²	28.9	7%	0.068	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	173.5	173.2	59.3	0	0	0	0	111.2	G358 L359 H362 T446 V447 G448 T461	G358-C463 WeakPolarHBondContact O-CB 3.26Å; L359-C463 HydrophobicContact CD2-CB 4.03Å; H362-C463 HydrophobicContact CB-CB 4.28Å; T446-C463 PolarHBondContact O-N 2.73Å; V447-C463 CarbonylContact C-O 3.52Å; V447-C463 VanDerWaalsContact CA-O 3.3Å; V447-C463 WeakPolarHBondContact CA-O 3.36Å; G448-C463 PolarHBondContact N-O 3.35Å; T461-C463 WeakPolarHBondContact CB-O 3.47Å; T461-C463 PolarHBondContact OG1-O 3.36Å
464	G	96.4	Very high	91.1	Very high	22 Å²	22	24.5 Å²	24.5	23%	0.227	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.3	171.6	-177.6	0	0	0	0	0	116.2	G358 G448	G358-G464 CarbonylContact C-O 3.48Å; G358-G464 WeakPolarHBondContact CA-O 3.13Å; G448-G464 CarbonylContact O-C 3.57Å; G448-G464 WeakPolarHBondContact O-CA 3.29Å
465	V	96.7	Very high	91.7	Very high	10 Å²	10	23.9 Å²	23.9	6%	0.061	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	115.2	178	-176.9	0	0	0	0	108.5	L356 L359 G448 T450 I467 A487	L356-V465 HydrophobicContact CD1-CG2 4.17Å; L356-V465 HydrophobicContact CD2-CG1 4.39Å; L359-V465 HydrophobicContact CD1-CG2 3.87Å; L359-V465 HydrophobicContact CD2-CG2 4.21Å; L359-V465 HydrophobicContact CG-CG2 3.89Å; G448-V465 PolarHBondContact O-N 3.12Å; T450-V465 PolarHBondContact N-O 2.81Å; T450-V465 VanDerWaalsContact N-O 3.13Å; V465-I467 PolarHBondContact O-N 2.77Å; V465-A487 HydrophobicContact CG1-CB 4.31Å
466	H	96.3	Very high	92	Very high	55 Å²	55	23.9 Å²	23.9	26%	0.255	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	115.1	167.4	-177.2	-107.8	0	0	0	109.2	R346 T450 N451 N468	R346-H466 VanDerWaalsContact CZ-O 3.23Å; R346-H466 PolarHBondContact NH1-O 3.45Å; R346-H466 PolarHBondContact NH2-O 2.9Å; T450-H466 CarbonylContact O-C 3.56Å; T450-H466 VanDerWaalsContact O-CA 3.24Å; T450-H466 WeakPolarHBondContact O-CA 3.49Å; T450-H466 PolarHBondContact O-CD2 3.49Å; N451-H466 VanDerWaalsContact C-NE2 3.29Å; N451-H466 PolarHBondContact O-NE2 3.41Å; H466-N468 PolarHBondContact ND1-N 3.07Å; H466-N468 PolarHBondContact O-N 2.84Å
467	I	96.5	Very high	92.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.137	C	C	.	.			trans	-66	-25.2	-174.1	71.4	-178.5	0	0	0	112.3	T342 V449 T450 N451 V465 A469 A480 Q484 A487	T342-I467 VanDerWaalsContact CA-O 3.28Å; T342-I467 WeakPolarHBondContact CA-O 3.43Å; T342-I467 WeakPolarHBondContact CB-O 3.2Å; T342-I467 WeakPolarHBondContact CG2-O 3.5Å; T342-I467 PolarHBondContact OG1-O 2.75Å; V449-I467 HydrophobicContact CG1-CG2 3.56Å; T450-I467 PolarHBondContact O-N 3.19Å; N451-I467 HydrophobicContact CB-CD1 3.63Å; N451-I467 HydrophobicContact CB-CG1 3.62Å; N451-I467 WeakPolarHBondContact OD1-CG1 3.18Å; V465-I467 PolarHBondContact O-N 2.77Å; I467-A469 HydrophobicContact CD1-CB 4.25Å; I467-A469 HydrophobicContact CG1-CB 4.21Å; I467-A480 HydrophobicContact CD1-CB 4.11Å; I467-Q484 HydrophobicContact CD1-CG 3.86Å; I467-Q484 HydrophobicContact CG2-CG 4.23Å; I467-A487 HydrophobicContact CG2-CB 3.95Å
468	N	93.9	Very high	92.6	Very high	61 Å²	61	24.5 Å²	24.5	33%	0.326	14%	0.137	S	C	.	.			trans	62	38.3	174.9	-159.8	43.6	0	0	0	114.4	N341 H466 G470	N341-N468 VanDerWaalsContact CB-O 3.31Å; N341-N468 WeakPolarHBondContact CB-O 3.37Å; N341-N468 PolarHBondContact O-ND2 3.18Å; N341-N468 VanDerWaalsContact O-ND2 3.12Å; H466-N468 PolarHBondContact ND1-N 3.07Å; H466-N468 PolarHBondContact O-N 2.84Å; N468-G470 PolarHBondContact O-N 2.96Å
469	A	93.3	Very high	92.9	Very high	4 Å²	4	23 Å²	23	3%	0.033	13%	0.125	C	C	.	.			trans	-76.4	-4.9	175	0	0	0	0	0	113.1	N451 I467 K479 S483	N451-A469 WeakPolarHBondContact OD1-CB 3.34Å; N451-A469 PolarHBondContact OD1-N 2.9Å; I467-A469 HydrophobicContact CD1-CB 4.25Å; I467-A469 HydrophobicContact CG1-CB 4.21Å; A469-K479 HydrophobicContact CB-CG 4.39Å; A469-K479 WeakPolarHBondContact O-CE 3.31Å; A469-S483 WeakPolarHBondContact CB-OG 3.45Å
470	G	89.6	Confident	93.3	Very high	18 Å²	18	18.1 Å²	18.1	19%	0.186	11%	0.107	C	C	.	.			trans	74.3	174.4	-165.5	0	0	0	0	0	112.1	N451 N468 E472	N451-G470 PolarHBondContact ND2-O 3.16Å; N468-G470 PolarHBondContact O-N 2.96Å; G470-E472 PolarHBondContact O-N 3.48Å
471	P	88	Confident	93.7	Very high	14 Å²	14	15.8 Å²	15.8	9%	0.091	10%	0.096	C	C	.	.			trans	-55.3	132.7	175.1	-23.5	33.3	0	0	0	111.6	M314 Q318 I319 I473 K479	M314-P471 HydrophobicContact CG-CG 3.86Å; M314-P471 HydrophobicContact SD-CB 4.39Å; M314-P471 HydrophobicContact SD-CG 3.31Å; M314-P471 WeakPolarHBondContact SD-CG 3.33Å; Q318-P471 HydrophobicContact CB-CG 4.17Å; I319-P471 HydrophobicContact CG2-CB 3.85Å; I319-P471 HydrophobicContact CG2-CG 3.93Å; P471-I473 HydrophobicContact CB-CD1 4.43Å; P471-K479 WeakPolarHBondContact O-CE 3.36Å; P471-K479 PolarHBondContact O-NZ 3.07Å
472	E	88.1	Confident	93.8	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.019	9%	0.092	C	C	.	.			trans	-105.3	126.5	167.7	-162.6	168.5	-111.5	0	0	105.3	E331 G470 S477 T478 K479 A480 K680	E331-E472 WeakPolarHBondContact OE2-CG 3.23Å; G470-E472 PolarHBondContact O-N 3.48Å; E472-S477 WeakPolarHBondContact OE2-CA 3.24Å; E472-S477 WeakPolarHBondContact OE2-CB 3.29Å; E472-S477 PolarHBondContact OE2-OG 3Å; E472-T478 PolarHBondContact OE1-N 2.79Å; E472-K479 HydrophobicContact CG-CG 4.48Å; E472-K479 WeakPolarHBondContact OE1-CG 2.9Å; E472-K479 PolarHBondContact OE1-N 2.69Å; E472-A480 PolarHBondContact OE1-N 3.03Å; E472-A480 WeakPolarHBondContact OE2-CB 3.45Å; E472-K680 VanDerWaalsContact C-CE 3.42Å; E472-K680 WeakPolarHBondContact O-CE 3.27Å; E472-K680 PolarHBondContact O-NZ 3.45Å
473	I	87.2	Confident	93.9	Very high	11 Å²	11	11.7 Å²	11.7	6%	0.056	7%	0.074	C	C	.	.			trans	-111.3	-33.6	-178.4	-55.2	-60.3	0	0	0	109.9	Y32 I319 F327 E331 P471	Y32-I473 WeakPolarHBondContact CB-O 3.47Å; Y32-I473 HydrophobicContact CD1-CD1 4.36Å; Y32-I473 HydrophobicContact CD1-CG2 3.88Å; Y32-I473 HydrophobicContact CE1-CD1 4.06Å; Y32-I473 HydrophobicContact CG-CG2 4Å; I319-I473 HydrophobicContact CB-CD1 4.41Å; I319-I473 HydrophobicContact CG2-CD1 4.19Å; F327-I473 HydrophobicContact CB-CB 4.17Å; F327-I473 HydrophobicContact CB-CG2 4.41Å; F327-I473 HydrophobicContact CD1-CB 3.72Å; F327-I473 HydrophobicContact CD1-CG1 4.07Å; F327-I473 HydrophobicContact CD1-CG2 3.97Å; F327-I473 HydrophobicContact CD2-CB 4.17Å; F327-I473 HydrophobicContact CD2-CG2 3.58Å; F327-I473 HydrophobicContact CE1-CB 4.07Å; F327-I473 HydrophobicContact CE1-CG1 4.06Å; F327-I473 HydrophobicContact CE1-CG2 4.05Å; F327-I473 HydrophobicContact CE2-CB 4.48Å; F327-I473 HydrophobicContact CE2-CG2 3.66Å; F327-I473 HydrophobicContact CG-CB 3.77Å; F327-I473 HydrophobicContact CG-CG2 3.73Å; F327-I473 HydrophobicContact CZ-CB 4.44Å; F327-I473 HydrophobicContact CZ-CG2 3.89Å; E331-I473 WeakPolarHBondContact OE1-CA 3.26Å; E331-I473 PolarHBondContact OE1-N 2.81Å; P471-I473 HydrophobicContact CB-CD1 4.43Å
474	G	87.1	Confident	93.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.07	C	C	.	.	S	Bend	trans	-54.6	139	172.5	0	0	0	0	0	111.7	E331 K680	E331-G474 PolarHBondContact OE1-N 2.78Å; E331-G474 PolarHBondContact OE2-N 3.33Å; G474-K680 VanDerWaalsContact O-CD 3.27Å; G474-K680 WeakPolarHBondContact O-CD 3.49Å; G474-K680 WeakPolarHBondContact O-CE 3.49Å
475	V	87.8	Confident	94	Very high	15 Å²	15	10.2 Å²	10.2	9%	0.091	6%	0.06	C	C	.	.	S	Bend	trans	-66.4	-42.4	179.5	168	0	0	0	0	111	D673 P675 L678 K680	V475-D673 WeakPolarHBondContact CG2-O 3.49Å; V475-P675 HydrophobicContact CB-CG 3.83Å; V475-P675 HydrophobicContact CG1-CG 3.51Å; V475-L678 HydrophobicContact CG1-CB 4.17Å; V475-K680 HydrophobicContact CG2-CB 4.26Å
476	A	92.4	Very high	94.1	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.008	6%	0.057	C	C	.	.	S	Bend	trans	-80.4	121.4	175.1	0	0	0	0	0	110.4	M328 K562 I566	M328-A476 HydrophobicContact CE-CB 4.49Å; M328-A476 HydrophobicContact SD-CB 4.39Å; A476-K562 HydrophobicContact CB-CD 4.14Å; A476-I566 HydrophobicContact CB-CG2 3.88Å
477	S	95.3	Very high	94.2	Very high	15 Å²	15	7.2 Å²	7.2	11%	0.105	5%	0.046	C	C	.	.			trans	-66.6	137.7	179.6	-168	0	0	0	0	112.4	E472 A480	E472-S477 WeakPolarHBondContact OE2-CA 3.24Å; E472-S477 WeakPolarHBondContact OE2-CB 3.29Å; E472-S477 PolarHBondContact OE2-OG 3Å; S477-A480 WeakPolarHBondContact OG-CB 3.41Å
478	T	97.4	Very high	94.3	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	5%	0.046	C	C	.	.	S	Bend	trans	-134.9	-76.8	-179	55.2	0	0	0	0	110.7	M328 E331 I332 E472 A480 Y481 T482 Q658	M328-T478 HydrophobicContact CE-CG2 4.17Å; M328-T478 HydrophobicContact CG-CG2 4.36Å; E331-T478 WeakPolarHBondContact CB-OG1 3.25Å; I332-T478 HydrophobicContact CD1-CG2 4.3Å; I332-T478 HydrophobicContact CG1-CG2 3.7Å; E472-T478 PolarHBondContact OE1-N 2.79Å; T478-A480 VanDerWaalsContact C-N 3.28Å; T478-A480 PolarHBondContact O-N 3.23Å; T478-Y481 WeakPolarHBondContact O-CB 3.41Å; T478-Y481 PolarHBondContact O-N 3.41Å; T478-Y481 VanDerWaalsContact O-N 3.17Å; T478-T482 PolarHBondContact O-N 2.87Å; T478-Q658 HydrophobicContact CG2-CG 4.5Å
479	K	96.6	Very high	94.5	Very high	5 Å²	5	4.4 Å²	4.4	2%	0.022	3%	0.031	C	C	.	.	H	α-helix	trans	-66.2	-27.8	179.2	64	-179.9	179.7	-176.3	0	113.3	E331 E334 Q335 A469 P471 E472 T482 S483	E331-K479 HydrophobicContact CB-CD 4.16Å; E331-K479 HydrophobicContact CB-CG 4.31Å; E331-K479 HydrophobicContact CG-CD 4.21Å; E334-K479 IonicContact OE2-NZ 3.72Å; E334-K479 PolarHBondContact OE2-NZ 3.11Å; E334-K479 VanDerWaalsContact OE2-NZ 3.1Å; Q335-K479 HydrophobicContact CG-CB 3.9Å; A469-K479 HydrophobicContact CB-CG 4.39Å; A469-K479 WeakPolarHBondContact O-CE 3.31Å; P471-K479 WeakPolarHBondContact O-CE 3.36Å; P471-K479 PolarHBondContact O-NZ 3.07Å; E472-K479 HydrophobicContact CG-CG 4.48Å; E472-K479 WeakPolarHBondContact OE1-CG 2.9Å; E472-K479 PolarHBondContact OE1-N 2.69Å; K479-T482 PolarHBondContact O-OG1 3.21Å; K479-S483 WeakPolarHBondContact O-CB 3.29Å; K479-S483 PolarHBondContact O-N 3.01Å; K479-S483 PolarHBondContact O-OG 3.15Å
480	A	96.9	Very high	94.8	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-68.7	-35.5	174.1	0	0	0	0	0	111.9	Q425 I467 E472 S477 T478 S483 Q484	Q425-A480 HydrophobicContact CB-CB 4.11Å; Q425-A480 HydrophobicContact CG-CB 3.45Å; Q425-A480 VanDerWaalsContact CG-CB 3.45Å; I467-A480 HydrophobicContact CD1-CB 4.11Å; E472-A480 PolarHBondContact OE1-N 3.03Å; E472-A480 WeakPolarHBondContact OE2-CB 3.45Å; S477-A480 WeakPolarHBondContact OG-CB 3.41Å; T478-A480 VanDerWaalsContact C-N 3.28Å; T478-A480 PolarHBondContact O-N 3.23Å; A480-S483 PolarHBondContact O-N 3.16Å; A480-Q484 VanDerWaalsContact O-CB 3.26Å; A480-Q484 WeakPolarHBondContact O-CB 3.3Å; A480-Q484 WeakPolarHBondContact O-CG 3.4Å; A480-Q484 PolarHBondContact O-N 2.88Å
481	Y	98.4	Very high	95.2	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-59.6	-52.1	173.4	172.2	-100.4	0	0	0	111.7	T379 H382 A383 T478 S483 Q484 F485 E558 V654	T379-Y481 HydrophobicContact CG2-CD2 3.66Å; T379-Y481 HydrophobicContact CG2-CG 3.96Å; H382-Y481 HydrophobicContact CB-CE2 3.94Å; A383-Y481 HydrophobicContact CB-CD2 3.93Å; A383-Y481 HydrophobicContact CB-CE2 4.05Å; T478-Y481 WeakPolarHBondContact O-CB 3.41Å; T478-Y481 PolarHBondContact O-N 3.41Å; T478-Y481 VanDerWaalsContact O-N 3.17Å; Y481-S483 VanDerWaalsContact C-N 3.34Å; Y481-S483 PolarHBondContact O-N 3.44Å; Y481-Q484 PolarHBondContact O-N 3.09Å; Y481-F485 HydrophobicContact CE1-CD2 4.26Å; Y481-F485 PolarHBondContact O-N 3.47Å; Y481-E558 HydrophobicContact CD2-CG 4.43Å; Y481-E558 HydrophobicContact CE2-CG 4.29Å; Y481-V654 HydrophobicContact CD1-CG1 4.17Å; Y481-V654 HydrophobicContact CE1-CB 4.28Å; Y481-V654 HydrophobicContact CE1-CG1 3.85Å; Y481-V654 HydrophobicContact CE1-CG2 4.16Å
482	T	98.2	Very high	95.6	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-68.4	-34.4	-178.5	47.5	0	0	0	0	112.2	Q335 T478 K479 F485 V486 I651 V654	Q335-T482 PolarHBondContact OE1-OG1 3.41Å; T478-T482 PolarHBondContact O-N 2.87Å; K479-T482 PolarHBondContact O-OG1 3.21Å; T482-F485 WeakPolarHBondContact O-CB 3.16Å; T482-F485 PolarHBondContact O-N 3.17Å; T482-V486 WeakPolarHBondContact O-CG2 2.84Å; T482-V486 PolarHBondContact O-N 2.86Å; T482-I651 HydrophobicContact CG2-CG2 3.87Å; T482-V654 HydrophobicContact CG2-CG1 4.29Å
483	S	98.4	Very high	96.1	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-69.9	-37	173.6	-59.2	0	0	0	0	112.7	T342 A469 K479 A480 Y481 V486 A487	T342-S483 VanDerWaalsContact OG1-CB 3.29Å; T342-S483 WeakPolarHBondContact OG1-CB 3.25Å; T342-S483 PolarHBondContact OG1-OG 3.28Å; A469-S483 WeakPolarHBondContact CB-OG 3.45Å; K479-S483 WeakPolarHBondContact O-CB 3.29Å; K479-S483 PolarHBondContact O-N 3.01Å; K479-S483 PolarHBondContact O-OG 3.15Å; A480-S483 PolarHBondContact O-N 3.16Å; Y481-S483 VanDerWaalsContact C-N 3.34Å; Y481-S483 PolarHBondContact O-N 3.44Å; S483-V486 PolarHBondContact O-N 3.19Å; S483-A487 WeakPolarHBondContact O-CB 3.32Å; S483-A487 PolarHBondContact O-N 3.02Å
484	Q	98.4	Very high	96.5	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-62.7	-43.5	171.6	-76.1	165.4	3.5	0	0	111.1	S380 A383 I423 V449 I467 A480 Y481 V486 A487 L488	S380-Q484 PolarHBondContact OG-NE2 3.11Å; S380-Q484 PolarHBondContact OG-OE1 3.22Å; A383-Q484 HydrophobicContact CB-CB 3.87Å; I423-Q484 HydrophobicContact CG2-CB 4.21Å; I423-Q484 VanDerWaalsContact CG2-CD 3.48Å; I423-Q484 HydrophobicContact CG2-CG 3.77Å; V449-Q484 HydrophobicContact CG1-CG 4.49Å; I467-Q484 HydrophobicContact CD1-CG 3.86Å; I467-Q484 HydrophobicContact CG2-CG 4.23Å; A480-Q484 VanDerWaalsContact O-CB 3.26Å; A480-Q484 WeakPolarHBondContact O-CB 3.3Å; A480-Q484 WeakPolarHBondContact O-CG 3.4Å; A480-Q484 PolarHBondContact O-N 2.88Å; Y481-Q484 PolarHBondContact O-N 3.09Å; Q484-V486 PolarHBondContact O-N 3.28Å; Q484-A487 PolarHBondContact O-N 3.23Å; Q484-L488 WeakPolarHBondContact O-CG 3.24Å; Q484-L488 PolarHBondContact O-N 3.35Å
485	F	98.4	Very high	96.9	Very high	1 Å²	1	4.1 Å²	4.1	0%	0.004	2%	0.023	C	C	.	.	H	α-helix	trans	-54.8	-53.7	174.5	-158.6	-34	0	0	0	110.6	A386 T387 Y481 T482 A487 L488 I489 C647 I651	A386-F485 HydrophobicContact CB-CD2 3.88Å; A386-F485 HydrophobicContact CB-CE1 4.48Å; A386-F485 HydrophobicContact CB-CE2 3.48Å; A386-F485 VanDerWaalsContact CB-CE2 3.48Å; A386-F485 HydrophobicContact CB-CZ 3.81Å; T387-F485 HydrophobicContact CG2-CD1 3.24Å; T387-F485 HydrophobicContact CG2-CE1 3.46Å; T387-F485 VanDerWaalsContact CG2-CE1 3.46Å; T387-F485 HydrophobicContact CG2-CG 3.97Å; T387-F485 HydrophobicContact CG2-CZ 4.39Å; Y481-F485 HydrophobicContact CE1-CD2 4.26Å; Y481-F485 PolarHBondContact O-N 3.47Å; T482-F485 WeakPolarHBondContact O-CB 3.16Å; T482-F485 PolarHBondContact O-N 3.17Å; F485-A487 PolarHBondContact O-N 3.3Å; F485-L488 PolarHBondContact O-N 3.02Å; F485-I489 HydrophobicContact CD1-CD1 3.65Å; F485-I489 HydrophobicContact CD1-CG1 4.06Å; F485-I489 HydrophobicContact CE1-CD1 3.59Å; F485-I489 HydrophobicContact CE1-CG1 4.21Å; F485-I489 PolarHBondContact O-N 3.24Å; F485-C647 VanDerWaalsContact CE1-O 3.3Å; F485-C647 WeakPolarHBondContact CE1-O 3.47Å; F485-C647 WeakPolarHBondContact CZ-O 3.34Å; F485-I651 HydrophobicContact CB-CD1 4.3Å; F485-I651 HydrophobicContact CB-CG1 4.25Å; F485-I651 HydrophobicContact CD1-CD1 4.24Å; F485-I651 HydrophobicContact CD1-CG1 4.3Å; F485-I651 HydrophobicContact CD2-CD1 4.33Å; F485-I651 HydrophobicContact CD2-CG1 3.57Å; F485-I651 HydrophobicContact CE2-CG1 3.91Å; F485-I651 HydrophobicContact CG-CD1 4.04Å; F485-I651 HydrophobicContact CG-CG1 3.79Å; F485-I651 HydrophobicContact CZ-CG1 4.45Å
486	V	98.4	Very high	97.3	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-64	-38.9	-179.2	174	0	0	0	0	111.9	V339 T342 M343 T482 S483 Q484 L488 I489 M490 L513 L516 I651	V339-V486 HydrophobicContact CG1-CG2 4.08Å; T342-V486 HydrophobicContact CG2-CB 4.17Å; T342-V486 HydrophobicContact CG2-CG1 3.97Å; M343-V486 HydrophobicContact CG-CG1 3.76Å; M343-V486 HydrophobicContact SD-CG1 4.29Å; T482-V486 WeakPolarHBondContact O-CG2 2.84Å; T482-V486 PolarHBondContact O-N 2.86Å; S483-V486 PolarHBondContact O-N 3.19Å; Q484-V486 PolarHBondContact O-N 3.28Å; V486-L488 PolarHBondContact O-N 3.21Å; V486-I489 PolarHBondContact O-N 3.36Å; V486-M490 HydrophobicContact CG1-CE 4.34Å; V486-M490 WeakPolarHBondContact O-CG 3.36Å; V486-M490 PolarHBondContact O-N 3.41Å; V486-L513 HydrophobicContact CG1-CD2 4.12Å; V486-L513 HydrophobicContact CG2-CD2 4.34Å; V486-L516 HydrophobicContact CG2-CD2 4.42Å; V486-I651 HydrophobicContact CG2-CD1 3.67Å
487	A	98.3	Very high	97.3	Very high	3 Å²	3	6.1 Å²	6.1	3%	0.025	3%	0.034	C	C	.	.	H	α-helix	trans	-61	-43.3	176.7	0	0	0	0	0	112.8	T342 V449 V465 I467 S483 Q484 F485 M490 F491	T342-A487 HydrophobicContact CG2-CB 4.48Å; V449-A487 HydrophobicContact CG1-CB 4.33Å; V465-A487 HydrophobicContact CG1-CB 4.31Å; I467-A487 HydrophobicContact CG2-CB 3.95Å; S483-A487 WeakPolarHBondContact O-CB 3.32Å; S483-A487 PolarHBondContact O-N 3.02Å; Q484-A487 PolarHBondContact O-N 3.23Å; F485-A487 PolarHBondContact O-N 3.3Å; A487-M490 HydrophobicContact CB-CE 4.43Å; A487-M490 PolarHBondContact O-N 2.98Å; A487-F491 PolarHBondContact O-N 2.89Å
488	L	98.5	Very high	97.2	Very high	2 Å²	2	12 Å²	12	1%	0.01	6%	0.064	C	C	.	.	H	α-helix	trans	-69.8	-33.8	177.4	-69.1	169.6	0	0	0	112.2	T387 F421 I423 V449 Q484 F485 V486 F491 A492	T387-L488 HydrophobicContact CG2-CB 3.9Å; T387-L488 HydrophobicContact CG2-CD1 4.26Å; T387-L488 VanDerWaalsContact OG1-CD1 3.28Å; T387-L488 WeakPolarHBondContact OG1-CD1 3.4Å; F421-L488 HydrophobicContact CD1-CD2 4.15Å; F421-L488 HydrophobicContact CE1-CD2 4.45Å; I423-L488 HydrophobicContact CD1-CD1 3.76Å; V449-L488 HydrophobicContact CG2-CD2 4.36Å; Q484-L488 WeakPolarHBondContact O-CG 3.24Å; Q484-L488 PolarHBondContact O-N 3.35Å; F485-L488 PolarHBondContact O-N 3.02Å; V486-L488 PolarHBondContact O-N 3.21Å; L488-F491 WeakPolarHBondContact O-CB 3.4Å; L488-F491 PolarHBondContact O-N 3.05Å; L488-A492 PolarHBondContact O-N 3.14Å
489	I	98.4	Very high	97	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-65.6	-44	171.4	-72.1	-178.4	0	0	0	111.5	T387 V390 F485 V486 F491 A492 L493 I509 L513 L648	T387-I489 HydrophobicContact CG2-CG1 4.38Å; V390-I489 HydrophobicContact CG1-CG1 4.2Å; F485-I489 HydrophobicContact CD1-CD1 3.65Å; F485-I489 HydrophobicContact CD1-CG1 4.06Å; F485-I489 HydrophobicContact CE1-CD1 3.59Å; F485-I489 HydrophobicContact CE1-CG1 4.21Å; F485-I489 PolarHBondContact O-N 3.24Å; V486-I489 PolarHBondContact O-N 3.36Å; I489-F491 PolarHBondContact O-N 2.69Å; I489-A492 WeakPolarHBondContact O-CB 3.5Å; I489-A492 PolarHBondContact O-N 2.8Å; I489-A492 VanDerWaalsContact O-N 3.09Å; I489-L493 HydrophobicContact CG2-CD1 4.09Å; I489-L493 HydrophobicContact CG2-CG 4.34Å; I489-L493 WeakPolarHBondContact O-CG 3.49Å; I489-L493 PolarHBondContact O-N 3.09Å; I489-I509 HydrophobicContact CG2-CG2 3.78Å; I489-L513 HydrophobicContact CG2-CD1 4.14Å; I489-L648 HydrophobicContact CD1-CD2 3.19Å; I489-L648 HydrophobicContact CD1-CG 4.28Å
490	M	98.1	Very high	97	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.6	-37.6	175.3	-73.4	-171.9	-64.1	0	0	111.5	T342 M343 R346 I347 V354 L356 V486 A487 L493 L494	T342-M490 HydrophobicContact CG2-CE 3.84Å; T342-M490 WeakPolarHBondContact O-CE 3.17Å; M343-M490 HydrophobicContact CG-SD 4.37Å; R346-M490 HydrophobicContact CB-SD 3.87Å; I347-M490 HydrophobicContact CD1-CG 3.85Å; I347-M490 HydrophobicContact CD1-SD 3.82Å; I347-M490 HydrophobicContact CG1-CG 4.12Å; I347-M490 HydrophobicContact CG1-SD 3.69Å; V354-M490 HydrophobicContact CG1-CB 3.88Å; V354-M490 HydrophobicContact CG1-CG 4.21Å; L356-M490 HydrophobicContact CD1-CB 4.3Å; L356-M490 HydrophobicContact CD2-CB 4.11Å; L356-M490 HydrophobicContact CD2-CE 4.11Å; L356-M490 HydrophobicContact CD2-SD 4.34Å; V486-M490 HydrophobicContact CG1-CE 4.34Å; V486-M490 WeakPolarHBondContact O-CG 3.36Å; V486-M490 PolarHBondContact O-N 3.41Å; A487-M490 HydrophobicContact CB-CE 4.43Å; A487-M490 PolarHBondContact O-N 2.98Å; M490-L493 PolarHBondContact O-N 3.2Å; M490-L494 WeakPolarHBondContact O-CB 3.45Å; M490-L494 PolarHBondContact O-N 3.3Å
491	F	98.3	Very high	96.9	Very high	3 Å²	3	27.2 Å²	27.2	1%	0.013	15%	0.146	C	C	.	.	H	α-helix	trans	-62.8	-45.9	172.6	170.5	-101	0	0	0	111.7	L356 L359 I363 I366 L372 L391 F421 A487 L488 I489 L493 L494 M495	L356-F491 HydrophobicContact CD1-CB 4.01Å; L359-F491 HydrophobicContact CD1-CD2 3.67Å; L359-F491 HydrophobicContact CD1-CE2 4.26Å; I363-F491 HydrophobicContact CD1-CE2 4.29Å; I366-F491 HydrophobicContact CG2-CE2 3.93Å; I366-F491 HydrophobicContact CG2-CZ 3.79Å; L372-F491 HydrophobicContact CD1-CE1 4.05Å; L391-F491 HydrophobicContact CD2-CD1 3.67Å; L391-F491 HydrophobicContact CD2-CE1 4.04Å; F421-F491 HydrophobicContact CE1-CD1 4.24Å; F421-F491 HydrophobicContact CE1-CD2 4.38Å; F421-F491 HydrophobicContact CE1-CE1 4.38Å; F421-F491 HydrophobicContact CE1-CG 4.25Å; F421-F491 AromaticContact CE2-CE1 3.94Å; F421-F491 HydrophobicContact CE2-CE1 3.94Å; F421-F491 AromaticContact CE2-CZ 3.97Å; F421-F491 HydrophobicContact CE2-CZ 3.97Å; F421-F491 AromaticContact CZ-CD1 3.78Å; F421-F491 HydrophobicContact CZ-CD1 3.78Å; F421-F491 AromaticContact CZ-CD2 3.97Å; F421-F491 HydrophobicContact CZ-CD2 3.97Å; F421-F491 AromaticContact CZ-CE1 3.48Å; F421-F491 HydrophobicContact CZ-CE1 3.48Å; F421-F491 VanDerWaalsContact CZ-CE1 3.48Å; F421-F491 AromaticContact CZ-CE2 3.69Å; F421-F491 HydrophobicContact CZ-CE2 3.69Å; F421-F491 HydrophobicContact CZ-CG 4.01Å; F421-F491 AromaticContact CZ-CZ 3.44Å; F421-F491 HydrophobicContact CZ-CZ 3.44Å; F421-F491 VanDerWaalsContact CZ-CZ 3.44Å; A487-F491 PolarHBondContact O-N 2.89Å; L488-F491 WeakPolarHBondContact O-CB 3.4Å; L488-F491 PolarHBondContact O-N 3.05Å; I489-F491 PolarHBondContact O-N 2.69Å; F491-L493 VanDerWaalsContact C-N 3.32Å; F491-L493 PolarHBondContact O-N 2.95Å; F491-L494 WeakPolarHBondContact O-CB 3.44Å; F491-L494 PolarHBondContact O-N 3.33Å; F491-M495 HydrophobicContact CD1-CG 4.42Å; F491-M495 HydrophobicContact CD2-CG 4.35Å; F491-M495 HydrophobicContact CE1-CG 3.85Å; F491-M495 HydrophobicContact CE2-CG 3.77Å; F491-M495 HydrophobicContact CE2-SD 3.89Å; F491-M495 HydrophobicContact CZ-CE 4.46Å; F491-M495 HydrophobicContact CZ-CG 3.49Å; F491-M495 VanDerWaalsContact CZ-CG 3.49Å; F491-M495 HydrophobicContact CZ-SD 3.73Å; F491-M495 WeakPolarHBondContact O-CG 3.03Å; F491-M495 PolarHBondContact O-N 3.36Å
492	A	97.8	Very high	96.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.7	-41.5	176.6	0	0	0	0	0	112.4	L391 L394 L488 I489 L494 M495 C496	L391-A492 HydrophobicContact CD2-CB 3.77Å; L394-A492 HydrophobicContact CB-CB 4.19Å; L394-A492 HydrophobicContact CD1-CB 3.74Å; L394-A492 HydrophobicContact CG-CB 4.49Å; L488-A492 PolarHBondContact O-N 3.14Å; I489-A492 WeakPolarHBondContact O-CB 3.5Å; I489-A492 PolarHBondContact O-N 2.8Å; I489-A492 VanDerWaalsContact O-N 3.09Å; A492-L494 VanDerWaalsContact C-N 3.35Å; A492-L494 PolarHBondContact O-N 2.94Å; A492-M495 PolarHBondContact O-N 3.06Å; A492-C496 PolarHBondContact O-N 3.39Å; A492-C496 PolarHBondContact O-SG 3.05Å
493	L	97.7	Very high	96.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64	-37.2	175.8	-70.4	172.4	0	0	0	112.9	V354 L394 I489 M490 F491 C496 R506 I509 I510 L513	V354-L493 HydrophobicContact CB-CB 4.43Å; V354-L493 HydrophobicContact CG2-CB 3.99Å; V354-L493 HydrophobicContact CG2-CD1 4Å; L394-L493 HydrophobicContact CD1-CD2 4.24Å; I489-L493 HydrophobicContact CG2-CD1 4.09Å; I489-L493 HydrophobicContact CG2-CG 4.34Å; I489-L493 WeakPolarHBondContact O-CG 3.49Å; I489-L493 PolarHBondContact O-N 3.09Å; M490-L493 PolarHBondContact O-N 3.2Å; F491-L493 VanDerWaalsContact C-N 3.32Å; F491-L493 PolarHBondContact O-N 2.95Å; L493-C496 PolarHBondContact O-SG 3.36Å; L493-C496 VanDerWaalsContact O-SG 3.4Å; L493-R506 HydrophobicContact CD2-CB 4.1Å; L493-R506 HydrophobicContact CD2-CG 3.95Å; L493-R506 PolarHBondContact O-NE 2.85Å; L493-R506 VanDerWaalsContact O-NE 3.16Å; L493-I509 HydrophobicContact CD1-CG2 4.03Å; L493-I509 HydrophobicContact CD2-CB 4.1Å; L493-I509 HydrophobicContact CD2-CD1 4.23Å; L493-I509 HydrophobicContact CD2-CG2 4.09Å; L493-I509 HydrophobicContact CG-CG2 4.38Å; L493-I510 HydrophobicContact CD1-CD1 4.5Å; L493-I510 HydrophobicContact CD1-CG1 3.8Å; L493-I510 HydrophobicContact CD2-CG1 4.47Å; L493-L513 HydrophobicContact CD1-CD1 3.95Å
494	L	96.1	Very high	96.7	Very high	26 Å²	26	34.9 Å²	34.9	14%	0.136	19%	0.189	C	C	.	.	H	α-helix	trans	-65.9	-37.4	175	-178.3	66.2	0	0	0	111.6	L356 I363 M490 F491 A492 C496	L356-L494 HydrophobicContact CB-CD2 4.17Å; L356-L494 HydrophobicContact CD1-CD2 4.25Å; L356-L494 HydrophobicContact CG-CD2 4.36Å; I363-L494 HydrophobicContact CD1-CD2 3.54Å; I363-L494 HydrophobicContact CD1-CG 3.85Å; I363-L494 HydrophobicContact CG1-CD2 3.86Å; I363-L494 HydrophobicContact CG1-CG 3.98Å; M490-L494 WeakPolarHBondContact O-CB 3.45Å; M490-L494 PolarHBondContact O-N 3.3Å; F491-L494 WeakPolarHBondContact O-CB 3.44Å; F491-L494 PolarHBondContact O-N 3.33Å; A492-L494 VanDerWaalsContact C-N 3.35Å; A492-L494 PolarHBondContact O-N 2.94Å; L494-C496 VanDerWaalsContact C-N 3.33Å; L494-C496 PolarHBondContact O-N 3.07Å
495	M	95.8	Very high	96.6	Very high	15 Å²	15	36.5 Å²	36.5	7%	0.074	20%	0.195	C	C	.	.	H	α-helix	trans	-70.2	-25.2	-178.1	-72.4	-66.5	-69	0	0	114.3	I363 I366 Q367 T395 L397 F491 A492	I363-M495 HydrophobicContact CD1-SD 3.71Å; I366-M495 HydrophobicContact CG2-CE 4.05Å; I366-M495 HydrophobicContact CG2-SD 3.78Å; Q367-M495 HydrophobicContact CB-CE 4.49Å; Q367-M495 HydrophobicContact CG-CE 3.91Å; Q367-M495 HydrophobicContact CG-SD 3.8Å; T395-M495 HydrophobicContact CG2-CB 3.79Å; T395-M495 HydrophobicContact CG2-CE 4.43Å; T395-M495 HydrophobicContact CG2-CG 3.98Å; L397-M495 HydrophobicContact CD1-CE 4.5Å; F491-M495 HydrophobicContact CD1-CG 4.42Å; F491-M495 HydrophobicContact CD2-CG 4.35Å; F491-M495 HydrophobicContact CE1-CG 3.85Å; F491-M495 HydrophobicContact CE2-CG 3.77Å; F491-M495 HydrophobicContact CE2-SD 3.89Å; F491-M495 HydrophobicContact CZ-CE 4.46Å; F491-M495 HydrophobicContact CZ-CG 3.49Å; F491-M495 VanDerWaalsContact CZ-CG 3.49Å; F491-M495 HydrophobicContact CZ-SD 3.73Å; F491-M495 WeakPolarHBondContact O-CG 3.03Å; F491-M495 PolarHBondContact O-N 3.36Å; A492-M495 PolarHBondContact O-N 3.06Å
496	C	95.8	Very high	96.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	9.3	-179	58.9	0	0	0	0	114.2	L394 A492 L493 L494 D498 R499 M502 R506	L394-C496 HydrophobicContact CB-CB 4.24Å; L394-C496 WeakPolarHBondContact O-CB 3.44Å; A492-C496 PolarHBondContact O-N 3.39Å; A492-C496 PolarHBondContact O-SG 3.05Å; L493-C496 PolarHBondContact O-SG 3.36Å; L493-C496 VanDerWaalsContact O-SG 3.4Å; L494-C496 VanDerWaalsContact C-N 3.33Å; L494-C496 PolarHBondContact O-N 3.07Å; C496-D498 VanDerWaalsContact C-N 3.3Å; C496-D498 PolarHBondContact O-N 3.31Å; C496-R499 PolarHBondContact O-N 2.99Å; C496-M502 HydrophobicContact CB-CB 4.28Å; C496-M502 HydrophobicContact CB-CG 4.5Å; C496-R506 WeakPolarHBondContact SG-CD 3.45Å; C496-R506 WeakPolarHBondContact SG-CG 3.31Å
497	D	92.6	Very high	96.5	Very high	59 Å²	59	43.2 Å²	43.2	32%	0.316	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-39.3	-173	-168.3	40.1	0	0	0	113.5	R499 Q503 R506	D497-R499 VanDerWaalsContact C-N 3.28Å; D497-R499 PolarHBondContact O-N 3.38Å; D497-Q503 PolarHBondContact O-NE2 3.25Å; D497-R506 IonicContact OD1-CZ 3.39Å; D497-R506 IonicContact OD1-NH1 3.23Å; D497-R506 PolarHBondContact OD1-NH1 3.08Å; D497-R506 IonicContact OD1-NH2 2.72Å; D497-R506 PolarHBondContact OD1-NH2 2.85Å
498	D	92.3	Very high	96.5	Very high	138 Å²	138	47.9 Å²	47.9	74%	0.738	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-1.2	-178.9	-69.7	-33.7	0	0	0	114	C496	C496-D498 VanDerWaalsContact C-N 3.3Å; C496-D498 PolarHBondContact O-N 3.31Å
499	R	94.1	Very high	96.4	Very high	74 Å²	74	47.8 Å²	47.8	28%	0.279	24%	0.241	S	C	.	.			trans	-93.8	113.3	-177.1	-59.5	-172	-165.9	-160.7	2.7	111.3	T395 E396 C496 D497 S501 M502 Q503	T395-R499 PolarHBondContact O-NH2 3.43Å; E396-R499 VanDerWaalsContact CG-NH1 3.35Å; E396-R499 IonicContact OE1-NH1 2.81Å; E396-R499 PolarHBondContact OE1-NH1 2.92Å; E396-R499 IonicContact OE2-CZ 3.35Å; E396-R499 IonicContact OE2-NH1 3.21Å; E396-R499 PolarHBondContact OE2-NH1 2.82Å; E396-R499 IonicContact OE2-NH2 3.96Å; C496-R499 PolarHBondContact O-N 2.99Å; D497-R499 VanDerWaalsContact C-N 3.28Å; D497-R499 PolarHBondContact O-N 3.38Å; R499-S501 VanDerWaalsContact C-N 3.35Å; R499-S501 PolarHBondContact O-N 3.47Å; R499-M502 HydrophobicContact CB-CB 4.12Å; R499-M502 HydrophobicContact CB-CG 4.1Å; R499-M502 PolarHBondContact O-N 3Å; R499-Q503 WeakPolarHBondContact O-CG 3.48Å; R499-Q503 PolarHBondContact O-N 3.24Å; R499-Q503 PolarHBondContact O-NE2 3.45Å
500	I	95.3	Very high	96.4	Very high	152 Å²	152	47.8 Å²	47.8	78%	0.779	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-61.1	-42.3	179.5	-61.6	173.9	0	0	0	111.6	M502 Q503	I500-M502 PolarHBondContact O-N 3.22Å; I500-Q503 WeakPolarHBondContact O-CG 3.47Å; I500-Q503 PolarHBondContact O-N 3.25Å
501	S	96.4	Very high	96.3	Very high	98 Å²	98	52 Å²	52	69%	0.685	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-61.7	-29.8	-179.3	52.8	0	0	0	0	113.4	R499 P504	R499-S501 VanDerWaalsContact C-N 3.35Å; R499-S501 PolarHBondContact O-N 3.47Å; S501-P504 WeakPolarHBondContact O-CD 3.47Å
502	M	96.3	Very high	96.2	Very high	33 Å²	33	52.3 Å²	52.3	16%	0.163	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-90.3	-6.9	-177.3	-64.1	-59.7	-171.5	0	0	113.4	C496 R499 I500 P504 R505 R506	C496-M502 HydrophobicContact CB-CB 4.28Å; C496-M502 HydrophobicContact CB-CG 4.5Å; R499-M502 HydrophobicContact CB-CB 4.12Å; R499-M502 HydrophobicContact CB-CG 4.1Å; R499-M502 PolarHBondContact O-N 3Å; I500-M502 PolarHBondContact O-N 3.22Å; M502-P504 VanDerWaalsContact C-CD 3.49Å; M502-R505 PolarHBondContact O-N 3.24Å; M502-R505 VanDerWaalsContact O-N 3.16Å; M502-R506 WeakPolarHBondContact O-CG 3.45Å; M502-R506 PolarHBondContact O-N 2.67Å
503	Q	95.7	Very high	96.2	Very high	53 Å²	53	52.3 Å²	52.3	25%	0.248	26%	0.264	C	S	.	.	H	α-helix	trans	-58.4	-40	-178.7	-61.8	-57	-46.3	0	0	114.5	D497 R499 I500 R506 R507	D497-Q503 PolarHBondContact O-NE2 3.25Å; R499-Q503 WeakPolarHBondContact O-CG 3.48Å; R499-Q503 PolarHBondContact O-N 3.24Å; R499-Q503 PolarHBondContact O-NE2 3.45Å; I500-Q503 WeakPolarHBondContact O-CG 3.47Å; I500-Q503 PolarHBondContact O-N 3.25Å; Q503-R506 PolarHBondContact O-N 3.48Å; Q503-R507 WeakPolarHBondContact O-CG 3.44Å; Q503-R507 PolarHBondContact O-N 3.33Å
504	P	97.3	Very high	96.1	Very high	76 Å²	76	58.3 Å²	58.3	49%	0.494	29%	0.287	S	S	.	.	H	α-helix	trans	-60.3	-46.4	174.5	-22.6	34.7	0	0	0	111.9	S501 M502 R507 E508	S501-P504 WeakPolarHBondContact O-CD 3.47Å; M502-P504 VanDerWaalsContact C-CD 3.49Å; P504-R507 PolarHBondContact O-N 3.01Å; P504-E508 PolarHBondContact O-N 3.26Å
505	R	97.4	Very high	96.1	Very high	33 Å²	33	59 Å²	59	13%	0.125	29%	0.292	C	S	.	.	H	α-helix	trans	-64.1	-43.3	178.7	-177.7	56.5	166.1	164.8	2.5	112.2	E393 L394 M502 R507 E508 I509 D646	E393-R505 WeakPolarHBondContact OE1-CG 3.4Å; E393-R505 IonicContact OE1-CZ 3.86Å; E393-R505 IonicContact OE1-NE 3.89Å; E393-R505 PolarHBondContact OE1-NE 2.97Å; E393-R505 IonicContact OE1-NH2 3.47Å; E393-R505 IonicContact OE2-NE 3.92Å; E393-R505 IonicContact OE2-NH2 3.08Å; E393-R505 PolarHBondContact OE2-NH2 2.85Å; L394-R505 HydrophobicContact CD2-CG 4.22Å; M502-R505 PolarHBondContact O-N 3.24Å; M502-R505 VanDerWaalsContact O-N 3.16Å; R505-R507 PolarHBondContact O-N 3.49Å; R505-E508 WeakPolarHBondContact CD-OE2 3.34Å; R505-E508 IonicContact CZ-OE2 2.81Å; R505-E508 IonicContact NE-OE2 3.64Å; R505-E508 IonicContact NH1-OE2 2.62Å; R505-E508 PolarHBondContact NH1-OE2 3.13Å; R505-E508 WeakPolarHBondContact O-CB 3.13Å; R505-E508 PolarHBondContact O-N 3.18Å; R505-I509 HydrophobicContact CG-CD1 4.11Å; R505-I509 VanDerWaalsContact O-CG1 3.32Å; R505-I509 WeakPolarHBondContact O-CG1 3.39Å; R505-I509 PolarHBondContact O-N 3.12Å; R505-D646 IonicContact CZ-OD1 2.69Å; R505-D646 IonicContact NH1-OD1 2.69Å; R505-D646 PolarHBondContact NH1-OD1 3.08Å; R505-D646 IonicContact NH2-OD1 3.65Å; R505-D646 PolarHBondContact NH2-OD1 2.81Å; R505-D646 IonicContact NH2-OD2 3.82Å; R505-D646 PolarHBondContact NH2-OD2 3.3Å
506	R	97.2	Very high	96.1	Very high	5 Å²	5	58.2 Å²	58.2	2%	0.019	29%	0.288	C	S	.	.	H	α-helix	trans	-58	-46.4	173.9	-71.9	179.8	72.9	-125	-1.9	112	L493 C496 D497 M502 Q503 I509 I510	L493-R506 HydrophobicContact CD2-CB 4.1Å; L493-R506 HydrophobicContact CD2-CG 3.95Å; L493-R506 PolarHBondContact O-NE 2.85Å; L493-R506 VanDerWaalsContact O-NE 3.16Å; C496-R506 WeakPolarHBondContact SG-CD 3.45Å; C496-R506 WeakPolarHBondContact SG-CG 3.31Å; D497-R506 IonicContact OD1-CZ 3.39Å; D497-R506 IonicContact OD1-NH1 3.23Å; D497-R506 PolarHBondContact OD1-NH1 3.08Å; D497-R506 IonicContact OD1-NH2 2.72Å; D497-R506 PolarHBondContact OD1-NH2 2.85Å; M502-R506 WeakPolarHBondContact O-CG 3.45Å; M502-R506 PolarHBondContact O-N 2.67Å; Q503-R506 PolarHBondContact O-N 3.48Å; R506-I509 PolarHBondContact O-N 3.18Å; R506-I510 WeakPolarHBondContact O-CB 3.36Å; R506-I510 VanDerWaalsContact O-CG1 3.27Å; R506-I510 WeakPolarHBondContact O-CG1 3.48Å; R506-I510 PolarHBondContact O-N 3.13Å
507	R	96.8	Very high	95.8	Very high	137 Å²	137	58.3 Å²	58.3	52%	0.517	29%	0.289	S	S	.	.	H	α-helix	trans	-63.6	-40.5	178.3	-74.2	-173.9	-63.6	-154.8	1.8	112.3	N352 Q503 P504 R505 I510 Q511	N352-R507 HydrophobicContact CB-CG 4.43Å; Q503-R507 WeakPolarHBondContact O-CG 3.44Å; Q503-R507 PolarHBondContact O-N 3.33Å; P504-R507 PolarHBondContact O-N 3.01Å; R505-R507 PolarHBondContact O-N 3.49Å; R507-I510 PolarHBondContact O-N 2.87Å; R507-Q511 VanDerWaalsContact O-CB 3.29Å; R507-Q511 WeakPolarHBondContact O-CB 3.5Å; R507-Q511 PolarHBondContact O-N 3.45Å
508	E	97.8	Very high	95.3	Very high	101 Å²	101	59.4 Å²	59.4	47%	0.472	30%	0.297	S	S	.	.	H	α-helix	trans	-58	-49.4	174.2	-175.7	-170.9	-152.4	0	0	111.2	P504 R505 Q511 G512 V645	P504-E508 PolarHBondContact O-N 3.26Å; R505-E508 WeakPolarHBondContact CD-OE2 3.34Å; R505-E508 IonicContact CZ-OE2 2.81Å; R505-E508 IonicContact NE-OE2 3.64Å; R505-E508 IonicContact NH1-OE2 2.62Å; R505-E508 PolarHBondContact NH1-OE2 3.13Å; R505-E508 WeakPolarHBondContact O-CB 3.13Å; R505-E508 PolarHBondContact O-N 3.18Å; E508-Q511 PolarHBondContact O-N 3.42Å; E508-G512 PolarHBondContact O-N 3.46Å; E508-V645 HydrophobicContact CG-CB 4.44Å; E508-V645 HydrophobicContact CG-CG2 3.71Å
509	I	98.1	Very high	95.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65.2	-44.2	-180	-62.2	168.6	0	0	0	111.4	V390 L394 I489 L493 R505 R506 Q511 G512 L513 V645	V390-I509 HydrophobicContact CG2-CD1 4.45Å; L394-I509 HydrophobicContact CD1-CD1 4.04Å; I489-I509 HydrophobicContact CG2-CG2 3.78Å; L493-I509 HydrophobicContact CD1-CG2 4.03Å; L493-I509 HydrophobicContact CD2-CB 4.1Å; L493-I509 HydrophobicContact CD2-CD1 4.23Å; L493-I509 HydrophobicContact CD2-CG2 4.09Å; L493-I509 HydrophobicContact CG-CG2 4.38Å; R505-I509 HydrophobicContact CG-CD1 4.11Å; R505-I509 VanDerWaalsContact O-CG1 3.32Å; R505-I509 WeakPolarHBondContact O-CG1 3.39Å; R505-I509 PolarHBondContact O-N 3.12Å; R506-I509 PolarHBondContact O-N 3.18Å; I509-Q511 VanDerWaalsContact C-N 3.33Å; I509-Q511 PolarHBondContact O-N 2.9Å; I509-G512 WeakPolarHBondContact O-CA 3.36Å; I509-G512 PolarHBondContact O-N 2.96Å; I509-G512 VanDerWaalsContact O-N 3.16Å; I509-L513 HydrophobicContact CG2-CD1 4.38Å; I509-L513 WeakPolarHBondContact O-CG 3.45Å; I509-L513 PolarHBondContact O-N 3.43Å; I509-V645 HydrophobicContact CG1-CG1 4.5Å; I509-V645 HydrophobicContact CG1-CG2 4.27Å
510	I	97.4	Very high	95.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-63.4	-40.4	178.5	-69.7	169.1	0	0	0	111	I347 F349 N352 V354 L493 R506 R507 G512 L513 R514	I347-I510 HydrophobicContact CG2-CG2 4.14Å; F349-I510 HydrophobicContact CD1-CG2 3.91Å; F349-I510 HydrophobicContact CE1-CG2 4.28Å; N352-I510 HydrophobicContact CB-CD1 3.95Å; N352-I510 HydrophobicContact CB-CG2 4.33Å; N352-I510 VanDerWaalsContact O-CD1 3.22Å; N352-I510 WeakPolarHBondContact O-CD1 3.32Å; N352-I510 WeakPolarHBondContact OD1-CG2 3.2Å; V354-I510 HydrophobicContact CG2-CD1 4.09Å; V354-I510 HydrophobicContact CG2-CG1 4.39Å; L493-I510 HydrophobicContact CD1-CD1 4.5Å; L493-I510 HydrophobicContact CD1-CG1 3.8Å; L493-I510 HydrophobicContact CD2-CG1 4.47Å; R506-I510 WeakPolarHBondContact O-CB 3.36Å; R506-I510 VanDerWaalsContact O-CG1 3.27Å; R506-I510 WeakPolarHBondContact O-CG1 3.48Å; R506-I510 PolarHBondContact O-N 3.13Å; R507-I510 PolarHBondContact O-N 2.87Å; I510-G512 VanDerWaalsContact C-N 3.32Å; I510-L513 PolarHBondContact O-N 3.47Å; I510-R514 PolarHBondContact O-N 3.49Å
511	Q	95.9	Very high	95.4	Very high	90 Å²	90	47.2 Å²	47.2	42%	0.421	24%	0.239	S	C	.	.	H	α-helix	trans	-65.9	-37.7	174.7	-174.6	59.3	29.6	0	0	111.5	R507 E508 I509 R514 V515	R507-Q511 VanDerWaalsContact O-CB 3.29Å; R507-Q511 WeakPolarHBondContact O-CB 3.5Å; R507-Q511 PolarHBondContact O-N 3.45Å; E508-Q511 PolarHBondContact O-N 3.42Å; I509-Q511 VanDerWaalsContact C-N 3.33Å; I509-Q511 PolarHBondContact O-N 2.9Å; Q511-R514 WeakPolarHBondContact O-CB 3.48Å; Q511-R514 PolarHBondContact O-N 3.02Å; Q511-V515 PolarHBondContact O-N 3.3Å
512	G	96.7	Very high	95.3	Very high	8 Å²	8	48 Å²	48	8%	0.082	23%	0.231	C	C	.	.	H	α-helix	trans	-58.4	-48	170.5	0	0	0	0	0	112.2	E508 I509 I510 R514 V515 L516	E508-G512 PolarHBondContact O-N 3.46Å; I509-G512 WeakPolarHBondContact O-CA 3.36Å; I509-G512 PolarHBondContact O-N 2.96Å; I509-G512 VanDerWaalsContact O-N 3.16Å; I510-G512 VanDerWaalsContact C-N 3.32Å; G512-R514 PolarHBondContact O-N 3.43Å; G512-V515 WeakPolarHBondContact O-CG2 3.38Å; G512-V515 PolarHBondContact O-N 3.17Å; G512-L516 VanDerWaalsContact O-CB 3.3Å; G512-L516 WeakPolarHBondContact O-CB 3.44Å; G512-L516 PolarHBondContact O-N 3.15Å
513	L	97.3	Very high	95.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.1	-29.5	176.2	-73.8	173.3	0	0	0	113	M343 I347 F349 V486 I489 L493 I509 I510 L516 P517 L648	M343-L513 WeakPolarHBondContact CE-O 3.33Å; M343-L513 HydrophobicContact SD-CB 3.88Å; M343-L513 HydrophobicContact SD-CD2 4.11Å; M343-L513 HydrophobicContact SD-CG 4.44Å; I347-L513 HydrophobicContact CD1-CB 4.42Å; I347-L513 HydrophobicContact CD1-CD1 3.64Å; F349-L513 HydrophobicContact CE1-CB 4.37Å; V486-L513 HydrophobicContact CG1-CD2 4.12Å; V486-L513 HydrophobicContact CG2-CD2 4.34Å; I489-L513 HydrophobicContact CG2-CD1 4.14Å; L493-L513 HydrophobicContact CD1-CD1 3.95Å; I509-L513 HydrophobicContact CG2-CD1 4.38Å; I509-L513 WeakPolarHBondContact O-CG 3.45Å; I509-L513 PolarHBondContact O-N 3.43Å; I510-L513 PolarHBondContact O-N 3.47Å; L513-L516 HydrophobicContact CD2-CD2 4.15Å; L513-P517 WeakPolarHBondContact O-CD 3.45Å; L513-L648 HydrophobicContact CD2-CD1 3.92Å; L513-L648 HydrophobicContact CD2-CD2 3.62Å; L513-L648 HydrophobicContact CD2-CG 4.48Å; L513-L648 HydrophobicContact CG-CD1 3.86Å; L513-L648 HydrophobicContact CG-CD2 4.25Å
514	R	96.3	Very high	95.4	Very high	126 Å²	126	46.8 Å²	46.8	48%	0.475	22%	0.224	S	C	.	.	H	α-helix	trans	-65.9	-45.8	177.2	-171.5	178.3	177	152.9	4	112.2	F349 I510 Q511 G512	F349-R514 HydrophobicContact CD1-CB 3.63Å; F349-R514 HydrophobicContact CD1-CG 3.92Å; F349-R514 VanDerWaalsContact CE1-CA 3.5Å; F349-R514 HydrophobicContact CE1-CB 3.59Å; F349-R514 HydrophobicContact CE1-CG 4.19Å; F349-R514 HydrophobicContact CG-CB 4.38Å; F349-R514 HydrophobicContact CG-CG 4.18Å; F349-R514 HydrophobicContact CZ-CB 4.31Å; I510-R514 PolarHBondContact O-N 3.49Å; Q511-R514 WeakPolarHBondContact O-CB 3.48Å; Q511-R514 PolarHBondContact O-N 3.02Å; G512-R514 PolarHBondContact O-N 3.43Å
515	V	96.5	Very high	95.5	Very high	40 Å²	40	43.8 Å²	43.8	24%	0.242	20%	0.204	C	C	.	.	H	α-helix	trans	-87.5	-20.5	-176.7	-61.1	0	0	0	0	112.8	Q511 G512 P517 D519 L520	Q511-V515 PolarHBondContact O-N 3.3Å; G512-V515 WeakPolarHBondContact O-CG2 3.38Å; G512-V515 PolarHBondContact O-N 3.17Å; V515-P517 VanDerWaalsContact C-CD 3.47Å; V515-D519 HydrophobicContact CB-CB 4.45Å; V515-D519 WeakPolarHBondContact O-CB 3.3Å; V515-D519 PolarHBondContact O-N 3.01Å; V515-D519 VanDerWaalsContact O-N 3.14Å; V515-L520 HydrophobicContact CG2-CD1 3.88Å; V515-L520 HydrophobicContact CG2-CG 4.27Å; V515-L520 PolarHBondContact O-N 3.39Å
516	L	95.1	Very high	95.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.226	C	C	.	.	I	π-helix	trans	-48	-50.1	-176.8	-175.8	67.4	0	0	0	114.2	V339 V486 G512 L513 L520 I521 I651 L652	V339-L516 HydrophobicContact CG1-CD2 4.19Å; V486-L516 HydrophobicContact CG2-CD2 4.42Å; G512-L516 VanDerWaalsContact O-CB 3.3Å; G512-L516 WeakPolarHBondContact O-CB 3.44Å; G512-L516 PolarHBondContact O-N 3.15Å; L513-L516 HydrophobicContact CD2-CD2 4.15Å; L516-L520 PolarHBondContact O-N 3.2Å; L516-I521 HydrophobicContact CD1-CD1 4.41Å; L516-I521 HydrophobicContact CD1-CG1 4.27Å; L516-I521 HydrophobicContact CG-CD1 4.03Å; L516-I521 HydrophobicContact CG-CG1 4.32Å; L516-I521 VanDerWaalsContact O-CG1 3.29Å; L516-I521 WeakPolarHBondContact O-CG1 3.35Å; L516-I521 PolarHBondContact O-N 2.99Å; L516-I651 HydrophobicContact CD1-CG2 4.34Å; L516-I651 HydrophobicContact CD2-CD1 3.77Å; L516-I651 HydrophobicContact CD2-CG2 4.41Å; L516-L652 HydrophobicContact CD1-CD2 3.85Å; L516-L652 HydrophobicContact CD1-CG 4.11Å
517	P	89.2	Confident	95.4	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.013	23%	0.232	C	C	.	.	I	π-helix	trans	-79.7	-49.5	-168.5	-7.7	24.7	0	0	0	113.4	P336 V339 V340 M343 L513 V515	P336-P517 WeakPolarHBondContact CB-O 3.26Å; P336-P517 VanDerWaalsContact O-CB 3.32Å; P336-P517 WeakPolarHBondContact O-CB 3.2Å; V339-P517 HydrophobicContact CB-CB 4.49Å; V339-P517 HydrophobicContact CG1-CB 4.39Å; V339-P517 HydrophobicContact CG1-CG 3.94Å; V340-P517 HydrophobicContact CG2-CB 3.59Å; V340-P517 HydrophobicContact CG2-CG 3.73Å; M343-P517 HydrophobicContact CE-CG 3.61Å; L513-P517 WeakPolarHBondContact O-CD 3.45Å; V515-P517 VanDerWaalsContact C-CD 3.47Å
518	V	83.4	Confident	95.4	Very high	81 Å²	81	42 Å²	42	49%	0.491	21%	0.214	S	C	.	.	I	π-helix	trans	-84	-37.6	-171.4	-180	0	0	0	0	111.6	K522	V518-K522 WeakPolarHBondContact O-CB 3.18Å; V518-K522 WeakPolarHBondContact O-CD 3.34Å; V518-K522 WeakPolarHBondContact O-CG 3.47Å
519	D	88.6	Confident	95.4	Very high	90 Å²	90	42 Å²	42	48%	0.481	22%	0.218	S	C	.	.	I	π-helix	trans	-94.4	-52.8	-173.1	-52.9	-33.8	0	0	0	110.1	V515 E523	V515-D519 HydrophobicContact CB-CB 4.45Å; V515-D519 WeakPolarHBondContact O-CB 3.3Å; V515-D519 PolarHBondContact O-N 3.01Å; V515-D519 VanDerWaalsContact O-N 3.14Å; D519-E523 VanDerWaalsContact O-CB 3.32Å; D519-E523 WeakPolarHBondContact O-CB 3.26Å; D519-E523 PolarHBondContact O-N 3.34Å
520	L	96.4	Very high	95.3	Very high	19 Å²	19	45.9 Å²	45.9	10%	0.099	24%	0.235	C	C	.	.	I	π-helix	trans	-85.5	-50.2	-167.6	-52.5	-177.1	0	0	0	113.6	V515 L516 K522 E523 V524 P642 C644 L652	V515-L520 HydrophobicContact CG2-CD1 3.88Å; V515-L520 HydrophobicContact CG2-CG 4.27Å; V515-L520 PolarHBondContact O-N 3.39Å; L516-L520 PolarHBondContact O-N 3.2Å; L520-K522 PolarHBondContact O-N 3.48Å; L520-E523 PolarHBondContact O-N 3.4Å; L520-V524 WeakPolarHBondContact O-CG2 3.44Å; L520-V524 PolarHBondContact O-N 2.9Å; L520-P642 HydrophobicContact CB-CG 4.14Å; L520-P642 HydrophobicContact CD2-CB 3.92Å; L520-P642 HydrophobicContact CD2-CG 3.98Å; L520-C644 HydrophobicContact CD1-CB 3.76Å; L520-C644 VanDerWaalsContact CD1-SG 3.53Å; L520-L652 HydrophobicContact CB-CD1 3.94Å; L520-L652 HydrophobicContact CB-CD2 3.77Å; L520-L652 HydrophobicContact CD1-CD1 4.04Å
521	I	97.3	Very high	95.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.235	C	C	.	.	I	π-helix	trans	-64	-42	179.9	-69.6	174	0	0	0	110.4	Q335 P336 V339 L516 E523 V524 L525 I651 L652 I655	Q335-I521 HydrophobicContact CB-CG2 4.18Å; P336-I521 HydrophobicContact CG-CB 4.26Å; P336-I521 HydrophobicContact CG-CG2 3.59Å; V339-I521 HydrophobicContact CG2-CD1 3.99Å; L516-I521 HydrophobicContact CD1-CD1 4.41Å; L516-I521 HydrophobicContact CD1-CG1 4.27Å; L516-I521 HydrophobicContact CG-CD1 4.03Å; L516-I521 HydrophobicContact CG-CG1 4.32Å; L516-I521 VanDerWaalsContact O-CG1 3.29Å; L516-I521 WeakPolarHBondContact O-CG1 3.35Å; L516-I521 PolarHBondContact O-N 2.99Å; I521-E523 VanDerWaalsContact C-N 3.33Å; I521-E523 PolarHBondContact O-N 3.08Å; I521-V524 PolarHBondContact O-N 3.31Å; I521-L525 HydrophobicContact CG2-CD1 4.04Å; I521-L525 HydrophobicContact CG2-CG 4.33Å; I521-L525 WeakPolarHBondContact O-CG 3.46Å; I521-L525 PolarHBondContact O-N 2.66Å; I521-I651 HydrophobicContact CD1-CG2 4.05Å; I521-I651 HydrophobicContact CG1-CG2 4.48Å; I521-L652 HydrophobicContact CG1-CD2 3.8Å; I521-I655 HydrophobicContact CB-CD1 4.39Å; I521-I655 HydrophobicContact CG1-CD1 4.04Å; I521-I655 HydrophobicContact CG2-CD1 3.83Å
522	K	95.5	Very high	95.4	Very high	115 Å²	115	45.8 Å²	45.8	50%	0.5	24%	0.235	S	C	.	.	H	α-helix	trans	-62.9	-38.6	176.5	-69.6	-168.5	-177.1	176.8	0	112.4	P336 V518 L520 V524 L525 S526	P336-K522 HydrophobicContact CB-CG 4.23Å; P336-K522 HydrophobicContact CG-CG 3.82Å; V518-K522 WeakPolarHBondContact O-CB 3.18Å; V518-K522 WeakPolarHBondContact O-CD 3.34Å; V518-K522 WeakPolarHBondContact O-CG 3.47Å; L520-K522 PolarHBondContact O-N 3.48Å; K522-V524 VanDerWaalsContact C-N 3.35Å; K522-L525 PolarHBondContact O-N 3.34Å; K522-S526 PolarHBondContact O-N 3.12Å
523	E	96.8	Very high	95.4	Very high	60 Å²	60	51.4 Å²	51.4	28%	0.28	26%	0.257	S	S	.	.	H	α-helix	trans	-61.8	-43.5	173.8	-177.6	174.1	-175.8	0	0	111.1	D519 L520 I521 L525 S526 K626 P642	D519-E523 VanDerWaalsContact O-CB 3.32Å; D519-E523 WeakPolarHBondContact O-CB 3.26Å; D519-E523 PolarHBondContact O-N 3.34Å; L520-E523 PolarHBondContact O-N 3.4Å; I521-E523 VanDerWaalsContact C-N 3.33Å; I521-E523 PolarHBondContact O-N 3.08Å; E523-L525 PolarHBondContact O-N 2.91Å; E523-S526 WeakPolarHBondContact O-CB 3.39Å; E523-S526 PolarHBondContact O-N 2.99Å; E523-S526 VanDerWaalsContact O-N 3.16Å; E523-S526 PolarHBondContact O-OG 2.96Å; E523-K626 IonicContact OE1-NZ 3.63Å; E523-K626 PolarHBondContact OE1-NZ 3.46Å; E523-P642 HydrophobicContact CB-CG 4.37Å; E523-P642 HydrophobicContact CG-CG 4.39Å; E523-P642 WeakPolarHBondContact OE2-CB 3.48Å
524	V	97.8	Very high	95.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.7	-41.1	176.1	177.9	0	0	0	0	112	L520 I521 K522 S526 L527 V641 P642 L652 I655 P656	L520-V524 WeakPolarHBondContact O-CG2 3.44Å; L520-V524 PolarHBondContact O-N 2.9Å; I521-V524 PolarHBondContact O-N 3.31Å; K522-V524 VanDerWaalsContact C-N 3.35Å; V524-S526 PolarHBondContact O-N 3.28Å; V524-L527 VanDerWaalsContact O-CB 3.27Å; V524-L527 WeakPolarHBondContact O-CB 3.27Å; V524-L527 WeakPolarHBondContact O-CG 3.25Å; V524-L527 PolarHBondContact O-N 2.91Å; V524-L527 VanDerWaalsContact O-N 3.07Å; V524-V641 HydrophobicContact CG1-CG1 4.45Å; V524-V641 HydrophobicContact CG2-CB 4.23Å; V524-V641 HydrophobicContact CG2-CG1 4.17Å; V524-P642 VanDerWaalsContact CG2-CD 3.49Å; V524-P642 HydrophobicContact CG2-CG 4.14Å; V524-L652 HydrophobicContact CG2-CB 4.28Å; V524-L652 HydrophobicContact CG2-CD2 4.09Å; V524-I655 HydrophobicContact CG1-CB 3.87Å; V524-I655 HydrophobicContact CG1-CG2 3.81Å; V524-P656 HydrophobicContact CG1-CG 3.86Å
525	L	97.3	Very high	95.3	Very high	12 Å²	12	45.5 Å²	45.5	6%	0.063	24%	0.235	C	C	.	.	H	α-helix	trans	-64	-26.1	176.2	-68.9	172.3	0	0	0	112.7	I332 F333 P336 I521 K522 E523 L527 D528 I655 L659	I332-L525 HydrophobicContact CG2-CD2 3.84Å; F333-L525 HydrophobicContact CD1-CB 4.39Å; F333-L525 HydrophobicContact CD1-CD1 4.33Å; F333-L525 HydrophobicContact CD1-CD2 4.32Å; F333-L525 HydrophobicContact CD2-CD2 4.47Å; F333-L525 HydrophobicContact CE1-CB 4.28Å; F333-L525 HydrophobicContact CE1-CD2 4.49Å; F333-L525 HydrophobicContact CG-CD2 4.32Å; P336-L525 HydrophobicContact CG-CD1 3.87Å; I521-L525 HydrophobicContact CG2-CD1 4.04Å; I521-L525 HydrophobicContact CG2-CG 4.33Å; I521-L525 WeakPolarHBondContact O-CG 3.46Å; I521-L525 PolarHBondContact O-N 2.66Å; K522-L525 PolarHBondContact O-N 3.34Å; E523-L525 PolarHBondContact O-N 2.91Å; L525-L527 PolarHBondContact O-N 3.21Å; L525-D528 WeakPolarHBondContact O-CB 3.36Å; L525-D528 PolarHBondContact O-N 2.92Å; L525-I655 HydrophobicContact CD2-CG2 3.78Å; L525-L659 HydrophobicContact CD2-CD1 4.37Å
526	S	97.3	Very high	95.4	Very high	85 Å²	85	47.1 Å²	47.1	59%	0.594	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-13.2	174.5	80.5	0	0	0	0	113.6	K522 E523 V524 D528	K522-S526 PolarHBondContact O-N 3.12Å; E523-S526 WeakPolarHBondContact O-CB 3.39Å; E523-S526 PolarHBondContact O-N 2.99Å; E523-S526 VanDerWaalsContact O-N 3.16Å; E523-S526 PolarHBondContact O-OG 2.96Å; V524-S526 PolarHBondContact O-N 3.28Å; S526-D528 PolarHBondContact O-N 3.34Å
527	L	96.4	Very high	95.3	Very high	25 Å²	25	51.9 Å²	51.9	13%	0.131	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	5.5	175.9	-53.3	173.7	0	0	0	113.1	V524 L525 D529 E530 I531 I639 K640	V524-L527 VanDerWaalsContact O-CB 3.27Å; V524-L527 WeakPolarHBondContact O-CB 3.27Å; V524-L527 WeakPolarHBondContact O-CG 3.25Å; V524-L527 PolarHBondContact O-N 2.91Å; V524-L527 VanDerWaalsContact O-N 3.07Å; L525-L527 PolarHBondContact O-N 3.21Å; L527-D529 VanDerWaalsContact C-N 3.29Å; L527-D529 PolarHBondContact O-N 2.81Å; L527-E530 PolarHBondContact O-N 3.02Å; L527-I531 HydrophobicContact CB-CD1 4.14Å; L527-I531 WeakPolarHBondContact O-CG1 3.29Å; L527-I531 PolarHBondContact O-N 3.26Å; L527-I639 HydrophobicContact CD1-CG2 4.08Å; L527-K640 VanDerWaalsContact CD1-O 3.26Å; L527-K640 WeakPolarHBondContact CD1-O 3.4Å
528	D	97.4	Very high	95.6	Very high	27 Å²	27	52.3 Å²	52.3	14%	0.144	27%	0.27	C	S	.	.	H	α-helix	trans	-50	-46.3	-176.6	-169	58.1	0	0	0	112.9	F333 L525 S526 E530 I531 Q532 L659 H663	F333-D528 HydrophobicContact CZ-CB 4.17Å; L525-D528 WeakPolarHBondContact O-CB 3.36Å; L525-D528 PolarHBondContact O-N 2.92Å; S526-D528 PolarHBondContact O-N 3.34Å; D528-E530 PolarHBondContact O-N 3.4Å; D528-I531 PolarHBondContact O-N 2.72Å; D528-Q532 WeakPolarHBondContact O-CB 3.31Å; D528-Q532 PolarHBondContact O-N 3.43Å; D528-L659 WeakPolarHBondContact OD1-CD2 3.47Å; D528-H663 IonicContact OD1-CD2 2.8Å; D528-H663 IonicContact OD1-CE1 3.95Å; D528-H663 IonicContact OD1-NE2 3.89Å; D528-H663 PolarHBondContact OD1-NE2 3.39Å; D528-H663 IonicContact OD2-CE1 2.92Å; D528-H663 IonicContact OD2-NE2 2.75Å
529	D	97.1	Very high	96.2	Very high	103 Å²	103	52.4 Å²	52.4	55%	0.551	26%	0.262	S	S	*	.	H	α-helix	trans	-63.4	-37.5	178.6	-71.6	-21.6	0	0	0	112.9	L527 I531 K533	L527-D529 VanDerWaalsContact C-N 3.29Å; L527-D529 PolarHBondContact O-N 2.81Å; D529-I531 VanDerWaalsContact C-N 3.33Å; D529-K533 WeakPolarHBondContact O-CG 3.4Å; D529-K533 PolarHBondContact O-N 3.28Å; D529-K533 VanDerWaalsContact O-N 3.14Å
530	E	96.3	Very high	96.5	Very high	80 Å²	80	55.1 Å²	55.1	37%	0.374	27%	0.272	S	S	.	.	H	α-helix	trans	-68	-38.3	176.7	-66.5	-162.4	156.5	0	0	111.1	L527 D528 K533 L534	L527-E530 PolarHBondContact O-N 3.02Å; D528-E530 PolarHBondContact O-N 3.4Å; E530-K533 PolarHBondContact O-N 2.85Å; E530-L534 PolarHBondContact O-N 2.89Å; E530-L534 VanDerWaalsContact O-N 3.1Å
531	I	97.4	Very high	96.4	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-71.8	-36.2	178.3	-63.1	161.9	0	0	0	110.7	L527 D528 D529 K533 L534 A535 I639 P656 L659 L660	L527-I531 HydrophobicContact CB-CD1 4.14Å; L527-I531 WeakPolarHBondContact O-CG1 3.29Å; L527-I531 PolarHBondContact O-N 3.26Å; D528-I531 PolarHBondContact O-N 2.72Å; D529-I531 VanDerWaalsContact C-N 3.33Å; I531-K533 VanDerWaalsContact C-N 3.35Å; I531-K533 PolarHBondContact O-N 3.14Å; I531-L534 WeakPolarHBondContact O-CB 3.4Å; I531-L534 PolarHBondContact O-N 2.89Å; I531-L534 VanDerWaalsContact O-N 3.16Å; I531-A535 PolarHBondContact O-N 3.01Å; I531-I639 HydrophobicContact CG1-CD1 4.28Å; I531-P656 HydrophobicContact CD1-CB 3.93Å; I531-L659 HydrophobicContact CB-CB 4.49Å; I531-L659 HydrophobicContact CD1-CB 3.95Å; I531-L659 HydrophobicContact CD1-CD1 3.58Å; I531-L659 HydrophobicContact CD1-CG 4.41Å; I531-L659 HydrophobicContact CG2-CB 3.89Å; I531-L660 HydrophobicContact CG2-CB 3.82Å; I531-L660 HydrophobicContact CG2-CD1 4.4Å
532	Q	97.3	Very high	96.4	Very high	88 Å²	88	66.1 Å²	66.1	41%	0.411	32%	0.32	S	S	.	.	H	α-helix	trans	-62.8	-41.5	173.6	-170.2	-177	45.9	0	0	111.7	D528 L534 A535 T536	D528-Q532 WeakPolarHBondContact O-CB 3.31Å; D528-Q532 PolarHBondContact O-N 3.43Å; Q532-L534 VanDerWaalsContact C-N 3.29Å; Q532-L534 PolarHBondContact O-N 2.88Å; Q532-A535 WeakPolarHBondContact O-CB 3.4Å; Q532-A535 PolarHBondContact O-N 2.74Å; Q532-T536 PolarHBondContact O-N 2.96Å; Q532-T536 VanDerWaalsContact O-N 3.08Å; Q532-T536 PolarHBondContact O-OG1 3.22Å
533	K	96.8	Very high	96.4	Very high	126 Å²	126	62.1 Å²	62.1	55%	0.548	31%	0.306	S	S	.	.	H	α-helix	trans	-61.1	-40.6	172.9	-69.7	168.1	-172.2	167.8	0	111.3	D529 E530 I531 T536 E537	D529-K533 WeakPolarHBondContact O-CG 3.4Å; D529-K533 PolarHBondContact O-N 3.28Å; D529-K533 VanDerWaalsContact O-N 3.14Å; E530-K533 PolarHBondContact O-N 2.85Å; I531-K533 VanDerWaalsContact C-N 3.35Å; I531-K533 PolarHBondContact O-N 3.14Å; K533-T536 WeakPolarHBondContact O-CB 3.33Å; K533-T536 PolarHBondContact O-N 2.85Å; K533-E537 PolarHBondContact O-N 3.13Å
534	L	95.7	Very high	96.5	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-64.1	-42.8	175.4	-177.5	64	0	0	0	112.2	E530 I531 Q532 T536 E537 L538 I621 R637 I639 L660	E530-L534 PolarHBondContact O-N 2.89Å; E530-L534 VanDerWaalsContact O-N 3.1Å; I531-L534 WeakPolarHBondContact O-CB 3.4Å; I531-L534 PolarHBondContact O-N 2.89Å; I531-L534 VanDerWaalsContact O-N 3.16Å; Q532-L534 VanDerWaalsContact C-N 3.29Å; Q532-L534 PolarHBondContact O-N 2.88Å; L534-T536 PolarHBondContact O-N 3.17Å; L534-E537 WeakPolarHBondContact O-CB 3.36Å; L534-E537 PolarHBondContact O-N 2.88Å; L534-L538 HydrophobicContact CD1-CD1 4.32Å; L534-L538 HydrophobicContact CG-CD1 4.1Å; L534-L538 PolarHBondContact O-N 2.95Å; L534-I621 HydrophobicContact CD1-CD1 3.62Å; L534-I621 HydrophobicContact CD1-CG1 3.85Å; L534-I621 HydrophobicContact CD1-CG2 4.12Å; L534-I621 HydrophobicContact CD2-CD1 4.48Å; L534-I621 HydrophobicContact CD2-CG2 3.81Å; L534-I621 HydrophobicContact CG-CD1 4.47Å; L534-R637 HydrophobicContact CD1-CG 4.32Å; L534-I639 HydrophobicContact CD2-CD1 3.77Å; L534-L660 HydrophobicContact CD2-CD1 4.2Å; L534-L660 HydrophobicContact CD2-CD2 4.3Å; L534-L660 HydrophobicContact CG-CD1 4.18Å
535	A	97.1	Very high	96.5	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.6	-36.4	176.5	0	0	0	0	0	111.5	I531 Q532 E537 L538 Y539 L660 H663 L664 L667	I531-A535 PolarHBondContact O-N 3.01Å; Q532-A535 WeakPolarHBondContact O-CB 3.4Å; Q532-A535 PolarHBondContact O-N 2.74Å; A535-E537 PolarHBondContact O-N 2.89Å; A535-L538 PolarHBondContact O-N 3.1Å; A535-L538 VanDerWaalsContact O-N 3.13Å; A535-Y539 WeakPolarHBondContact O-CB 3.38Å; A535-Y539 PolarHBondContact O-N 3.27Å; A535-L660 HydrophobicContact CB-CD1 3.9Å; A535-H663 HydrophobicContact CB-CB 3.52Å; A535-L664 HydrophobicContact CB-CD2 4.18Å; A535-L664 HydrophobicContact CB-CG 4.12Å; A535-L664 WeakPolarHBondContact O-CD2 3.35Å; A535-L667 HydrophobicContact CB-CD1 3.79Å
536	T	96.8	Very high	96.5	Very high	75 Å²	75	59.1 Å²	59.1	46%	0.46	29%	0.292	S	S	.	.	H	α-helix	trans	-63.3	-29	175.9	-52.4	0	0	0	0	112.8	Q532 K533 L534 Y539	Q532-T536 PolarHBondContact O-N 2.96Å; Q532-T536 VanDerWaalsContact O-N 3.08Å; Q532-T536 PolarHBondContact O-OG1 3.22Å; K533-T536 WeakPolarHBondContact O-CB 3.33Å; K533-T536 PolarHBondContact O-N 2.85Å; L534-T536 PolarHBondContact O-N 3.17Å; T536-Y539 WeakPolarHBondContact O-CD1 3.27Å; T536-Y539 WeakPolarHBondContact O-CE1 3.43Å
537	E	93.9	Very high	96.6	Very high	100 Å²	100	55 Å²	55	47%	0.467	26%	0.264	S	S	.	.	H	α-helix	trans	-80.1	-29	175.5	-65.2	168.1	-155.9	0	0	112	K533 L534 A535 R637	K533-E537 PolarHBondContact O-N 3.13Å; L534-E537 WeakPolarHBondContact O-CB 3.36Å; L534-E537 PolarHBondContact O-N 2.88Å; A535-E537 PolarHBondContact O-N 2.89Å; E537-R637 IonicContact OE1-CZ 3.69Å; E537-R637 IonicContact OE1-NH1 2.87Å; E537-R637 PolarHBondContact OE1-NH1 2.88Å; E537-R637 IonicContact OE1-NH2 2.75Å; E537-R637 PolarHBondContact OE1-NH2 3.33Å; E537-R637 VanDerWaalsContact OE1-NH2 3.14Å; E537-R637 IonicContact OE2-NH1 3.46Å
538	L	95.6	Very high	96.6	Very high	11 Å²	11	53.9 Å²	53.9	6%	0.058	26%	0.258	C	S	.	.	H	α-helix	trans	-99.5	-17.1	-172.7	-66.7	-179.1	0	0	0	114.4	L534 A535 Q540 Q541 M569 P592 I594 I621 L660 L664	L534-L538 HydrophobicContact CD1-CD1 4.32Å; L534-L538 HydrophobicContact CG-CD1 4.1Å; L534-L538 PolarHBondContact O-N 2.95Å; A535-L538 PolarHBondContact O-N 3.1Å; A535-L538 VanDerWaalsContact O-N 3.13Å; L538-Q540 PolarHBondContact O-N 3.2Å; L538-Q540 VanDerWaalsContact O-N 3.09Å; L538-Q541 HydrophobicContact CD2-CG 4.25Å; L538-Q541 VanDerWaalsContact O-CB 3.28Å; L538-Q541 WeakPolarHBondContact O-CB 3.24Å; L538-Q541 PolarHBondContact O-N 3.33Å; L538-M569 WeakPolarHBondContact O-CE 3.44Å; L538-P592 HydrophobicContact CD2-CB 3.78Å; L538-P592 HydrophobicContact CD2-CG 4.28Å; L538-I594 HydrophobicContact CD1-CD1 4.5Å; L538-I621 HydrophobicContact CD1-CD1 3.95Å; L538-I621 HydrophobicContact CD2-CD1 4.15Å; L538-I621 HydrophobicContact CG-CD1 4.39Å; L538-L660 HydrophobicContact CD1-CD1 4.31Å; L538-L660 HydrophobicContact CD1-CD2 4.2Å; L538-L664 HydrophobicContact CB-CD2 3.93Å
539	Y	95.6	Very high	96.5	Very high	83 Å²	83	55.2 Å²	55.2	33%	0.325	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-28	-169.6	85.5	-86.5	0	0	0	114	A535 T536 Q541 L664 L667 R668	A535-Y539 WeakPolarHBondContact O-CB 3.38Å; A535-Y539 PolarHBondContact O-N 3.27Å; T536-Y539 WeakPolarHBondContact O-CD1 3.27Å; T536-Y539 WeakPolarHBondContact O-CE1 3.43Å; Y539-Q541 VanDerWaalsContact C-N 3.35Å; Y539-L664 VanDerWaalsContact CA-CD2 3.5Å; Y539-L667 HydrophobicContact CG-CB 4.31Å; Y539-R668 VanDerWaalsContact O-CZ 3.31Å; Y539-R668 PolarHBondContact O-NE 3.47Å; Y539-R668 PolarHBondContact O-NH2 2.89Å
540	Q	94.6	Very high	96.4	Very high	147 Å²	147	51.7 Å²	51.7	69%	0.687	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-13.2	176.9	-62.2	-172.3	-17	0	0	113.6	L538	L538-Q540 PolarHBondContact O-N 3.2Å; L538-Q540 VanDerWaalsContact O-N 3.09Å
541	Q	95.4	Very high	96.5	Very high	72 Å²	72	48.1 Å²	48.1	34%	0.336	23%	0.232	S	C	.	.			trans	-72.8	144.4	-176.8	-61.4	-65.9	-10.9	0	0	111.4	L538 Y539 M569 P592 R668	L538-Q541 HydrophobicContact CD2-CG 4.25Å; L538-Q541 VanDerWaalsContact O-CB 3.28Å; L538-Q541 WeakPolarHBondContact O-CB 3.24Å; L538-Q541 PolarHBondContact O-N 3.33Å; Y539-Q541 VanDerWaalsContact C-N 3.35Å; Q541-M569 HydrophobicContact CB-CE 4.31Å; Q541-M569 WeakPolarHBondContact O-CE 3.22Å; Q541-P592 HydrophobicContact CB-CG 3.84Å; Q541-P592 HydrophobicContact CG-CG 3.55Å; Q541-R668 PolarHBondContact O-NH2 3.18Å
542	K	95.5	Very high	96.5	Very high	177 Å²	177	48.2 Å²	48.2	77%	0.77	23%	0.233	S	C	*	.	S	Bend	trans	-86	-33	178.8	-66.3	-175.5	-179.6	179.9	0	112.4	M569 H570	K542-M569 VanDerWaalsContact O-CG 3.24Å; K542-M569 WeakPolarHBondContact O-CG 3.02Å; K542-H570 PolarHBondContact O-N 2.98Å
543	S	97.2	Very high	96.6	Very high	32 Å²	32	47.8 Å²	47.8	22%	0.224	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	155.4	-176.3	-52.2	0	0	0	0	112.2	H570 P592	S543-H570 CarbonylContact C-O 3.45Å; S543-H570 WeakPolarHBondContact CA-O 3.31Å; S543-H570 WeakPolarHBondContact CB-O 3.42Å; S543-P592 VanDerWaalsContact O-CD 3.25Å; S543-P592 WeakPolarHBondContact O-CD 3.47Å; S543-P592 VanDerWaalsContact O-CG 3.31Å; S543-P592 WeakPolarHBondContact O-CG 3.37Å
544	V	97.7	Very high	96.6	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	131.9	169.5	60.3	0	0	0	0	110.3	I563 M569 H570 S571 E572 P592 I594	V544-I563 HydrophobicContact CG1-CD1 4.25Å; V544-I563 HydrophobicContact CG1-CG2 4.25Å; V544-M569 HydrophobicContact CB-SD 3.91Å; V544-M569 HydrophobicContact CG1-CG 4.5Å; V544-M569 HydrophobicContact CG1-SD 3.48Å; V544-M569 WeakPolarHBondContact CG1-SD 2.93Å; V544-H570 PolarHBondContact N-O 2.84Å; V544-S571 VanDerWaalsContact CG1-CB 3.47Å; V544-S571 CarbonylContact O-C 3.47Å; V544-S571 WeakPolarHBondContact O-CA 3.45Å; V544-E572 PolarHBondContact O-N 3.16Å; V544-P592 WeakPolarHBondContact CA-O 3.29Å; V544-P592 HydrophobicContact CB-CB 4.31Å; V544-P592 HydrophobicContact CG2-CB 4.13Å; V544-I594 HydrophobicContact CG2-CD1 3.91Å; V544-I594 HydrophobicContact CG2-CG1 3.97Å
545	L	97.9	Very high	96.8	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.037	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	132.6	174.4	-56.9	-177.4	0	0	0	109.6	M547 E572 I574 L586 M591 P592 V593 I594	L545-M547 HydrophobicContact CB-CE 3.97Å; L545-M547 HydrophobicContact CD1-CE 3.98Å; L545-E572 HydrophobicContact CD2-CB 4.04Å; L545-I574 HydrophobicContact CB-CD1 4.29Å; L545-I574 HydrophobicContact CD1-CD1 4.03Å; L545-I574 HydrophobicContact CD2-CD1 3.88Å; L545-I574 HydrophobicContact CG-CD1 4.29Å; L545-L586 HydrophobicContact CD1-CB 4.02Å; L545-L586 HydrophobicContact CD1-CD1 4.39Å; L545-M591 HydrophobicContact CD1-CG 3.92Å; L545-M591 HydrophobicContact CD1-SD 4.37Å; L545-M591 HydrophobicContact CG-CG 4.07Å; L545-M591 HydrophobicContact CG-SD 4.02Å; L545-P592 PolarHBondContact N-O 3.37Å; L545-V593 HydrophobicContact CB-CG2 4.45Å; L545-V593 CarbonylContact O-C 3.55Å; L545-V593 WeakPolarHBondContact O-CA 3.2Å; L545-I594 PolarHBondContact O-N 3.26Å
546	I	98.3	Very high	96.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	120.9	177.6	-47.1	-178.7	0	0	0	108.5	C556 A560 I563 E572 G573 I574 I594 L657	I546-C556 HydrophobicContact CB-CB 4.33Å; I546-C556 HydrophobicContact CG2-CB 3.96Å; I546-A560 HydrophobicContact CD1-CB 4.09Å; I546-I563 HydrophobicContact CD1-CD1 4.06Å; I546-E572 PolarHBondContact N-O 3.28Å; I546-G573 CarbonylContact O-C 3.55Å; I546-G573 WeakPolarHBondContact O-CA 3.43Å; I546-I574 PolarHBondContact O-N 3.19Å; I546-I594 CarbonylContact C-O 3.55Å; I546-I594 VanDerWaalsContact CA-O 3.32Å; I546-I594 WeakPolarHBondContact CA-O 3.29Å; I546-I594 HydrophobicContact CG1-CB 4.46Å; I546-I594 HydrophobicContact CG2-CB 4.34Å; I546-I594 HydrophobicContact CG2-CG2 4.41Å; I546-L657 HydrophobicContact CD1-CD2 4.47Å; I546-L657 HydrophobicContact CG2-CD1 4.27Å
547	M	97.8	Very high	96.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	136.6	-170.9	-55.6	176.2	-179.5	0	0	112	L545 I574 L579 V587 V593 I594 M595 I596 V613	L545-M547 HydrophobicContact CB-CE 3.97Å; L545-M547 HydrophobicContact CD1-CE 3.98Å; M547-I574 WeakPolarHBondContact CA-O 3.26Å; M547-I574 HydrophobicContact CG-CB 4.4Å; M547-L579 HydrophobicContact CE-CD2 3.58Å; M547-L579 HydrophobicContact CG-CD2 4.36Å; M547-L579 HydrophobicContact SD-CD1 3.91Å; M547-L579 HydrophobicContact SD-CD2 3.56Å; M547-L579 VanDerWaalsContact SD-CD2 3.56Å; M547-L579 HydrophobicContact SD-CG 4.35Å; M547-V587 HydrophobicContact CE-CG2 3.97Å; M547-V593 HydrophobicContact CE-CG1 3.76Å; M547-V593 HydrophobicContact CE-CG2 4.32Å; M547-V593 HydrophobicContact CG-CG1 4.22Å; M547-V593 HydrophobicContact SD-CG1 3.68Å; M547-I594 PolarHBondContact N-O 2.72Å; M547-M595 HydrophobicContact CB-CE 4.42Å; M547-M595 HydrophobicContact CB-CG 4.2Å; M547-M595 WeakPolarHBondContact O-CA 3.39Å; M547-M595 HydrophobicContact SD-CE 4.45Å; M547-M595 HydrophobicContact SD-CG 4.4Å; M547-M595 HydrophobicContact SD-SD 4.5Å; M547-I596 PolarHBondContact O-N 3.26Å; M547-V613 HydrophobicContact CE-CG2 4.46Å; M547-V613 HydrophobicContact SD-CG2 3.88Å
548	G	97.1	Very high	97.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	173.1	-179.8	0	0	0	0	0	111.1	C556 I574 A576	G548-C556 WeakPolarHBondContact CA-SG 3.23Å; G548-C556 PolarHBondContact N-SG 3.13Å; G548-I574 PolarHBondContact N-O 2.87Å; G548-A576 PolarHBondContact O-N 3.32Å
549	R	95.1	Very high	97.2	Very high	55 Å²	55	34.3 Å²	34.3	21%	0.208	16%	0.162	C	C	.	.			trans	-151.5	168.4	-178.7	60.1	175.3	-63.6	136.7	8.3	111.1	Y551 H552 L575 A576 K605 C606	R549-Y551 PolarHBondContact O-N 2.75Å; R549-H552 PolarHBondContact O-N 3.42Å; R549-H552 VanDerWaalsContact O-N 3.13Å; R549-L575 HydrophobicContact CB-CD1 4.03Å; R549-A576 HydrophobicContact CB-CB 4.32Å; R549-K605 VanDerWaalsContact CZ-CD 3.45Å; R549-K605 VanDerWaalsContact NH2-CD 3.34Å; R549-C606 WeakPolarHBondContact CD-SG 3.35Å; R549-C606 WeakPolarHBondContact CG-SG 3.43Å
550	G	96.2	Very high	97.4	Very high	29 Å²	29	30.4 Å²	30.4	30%	0.299	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	60	-131.8	-178.4	0	0	0	0	0	110.6	H552 Y553	G550-H552 PolarHBondContact O-N 2.97Å; G550-Y553 PolarHBondContact O-N 3.37Å; G550-Y553 VanDerWaalsContact O-N 3.09Å
551	Y	97.5	Very high	97.5	Very high	5 Å²	5	24.9 Å²	24.9	2%	0.02	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-55.9	-25	177.1	-68.1	-64.8	0	0	0	113.9	Q389 V390 E393 R549 D646 C647	Q389-Y551 HydrophobicContact CB-CD1 4.28Å; Q389-Y551 HydrophobicContact CB-CE1 3.75Å; Q389-Y551 HydrophobicContact CG-CE1 3.79Å; V390-Y551 HydrophobicContact CB-CE1 4.44Å; E393-Y551 PolarHBondContact OE2-OH 2.93Å; R549-Y551 PolarHBondContact O-N 2.75Å; Y551-D646 HydrophobicContact CD2-CB 4.08Å; Y551-D646 HydrophobicContact CE2-CB 3.85Å; Y551-D646 WeakPolarHBondContact CE2-OD2 3.44Å; Y551-C647 HydrophobicContact CD1-CB 4.39Å; Y551-C647 HydrophobicContact CE1-CB 3.74Å
552	H	98.1	Very high	97.6	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.009	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-92.6	0	-177.2	-59.2	-65.8	0	0	0	114.4	R549 G550 A554 T555 C556 I596 M598 D600 S653	R549-H552 PolarHBondContact O-N 3.42Å; R549-H552 VanDerWaalsContact O-N 3.13Å; G550-H552 PolarHBondContact O-N 2.97Å; H552-A554 VanDerWaalsContact C-N 3.35Å; H552-T555 WeakPolarHBondContact O-CB 3.21Å; H552-T555 PolarHBondContact O-N 3.32Å; H552-C556 PolarHBondContact O-N 2.91Å; H552-C556 VanDerWaalsContact O-N 3.14Å; H552-C556 PolarHBondContact O-SG 3.41Å; H552-I596 HydrophobicContact CB-CB 4.2Å; H552-I596 HydrophobicContact CB-CD1 4.45Å; H552-I596 HydrophobicContact CB-CG2 3.84Å; H552-M598 VanDerWaalsContact CE1-CG 3.44Å; H552-M598 WeakPolarHBondContact CE1-CG 3.47Å; H552-M598 VanDerWaalsContact NE2-CB 3.34Å; H552-M598 WeakPolarHBondContact NE2-CB 3.43Å; H552-M598 WeakPolarHBondContact NE2-CG 3.41Å; H552-D600 IonicContact CD2-OD2 2.68Å; H552-S653 PolarHBondContact ND1-OG 3.05Å; H552-S653 VanDerWaalsContact ND1-OG 3.08Å
553	Y	98.3	Very high	97.7	Very high	79 Å²	79	13 Å²	13	31%	0.31	7%	0.069	S	C	.	.	H	α-helix	trans	-61.9	-45.4	174.8	177.3	-129.7	0	0	0	111.3	V385 G550 T555 C556 L557 L575	V385-Y553 HydrophobicContact CG1-CD1 3.86Å; V385-Y553 HydrophobicContact CG1-CE1 4.28Å; G550-Y553 PolarHBondContact O-N 3.37Å; G550-Y553 VanDerWaalsContact O-N 3.09Å; Y553-T555 VanDerWaalsContact C-N 3.29Å; Y553-T555 PolarHBondContact O-N 2.61Å; Y553-C556 WeakPolarHBondContact O-CB 3.34Å; Y553-C556 PolarHBondContact O-N 3.16Å; Y553-C556 VanDerWaalsContact O-N 3.16Å; Y553-L557 HydrophobicContact CD1-CD1 4.27Å; Y553-L557 HydrophobicContact CD2-CG 4.39Å; Y553-L557 HydrophobicContact CE1-CD1 3.76Å; Y553-L557 HydrophobicContact CE2-CD1 4.12Å; Y553-L557 HydrophobicContact CE2-CD2 3.98Å; Y553-L557 HydrophobicContact CE2-CG 3.98Å; Y553-L557 PolarHBondContact O-N 2.99Å; Y553-L557 VanDerWaalsContact O-N 3.15Å; Y553-L575 HydrophobicContact CD2-CB 3.96Å; Y553-L575 HydrophobicContact CD2-CD1 3.77Å; Y553-L575 HydrophobicContact CD2-CG 4.44Å; Y553-L575 HydrophobicContact CE2-CB 3.8Å; Y553-L575 HydrophobicContact CE2-CD1 4.39Å; Y553-L575 HydrophobicContact CG-CD1 3.94Å
554	A	98.1	Very high	97.6	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.008	8%	0.077	C	C	.	.	H	α-helix	trans	-61.1	-38.6	174.9	0	0	0	0	0	112.3	V385 A386 H552 C556 L557 E558	V385-A554 HydrophobicContact CB-CB 4.06Å; V385-A554 HydrophobicContact CG1-CB 3.97Å; A386-A554 VanDerWaalsContact CA-CB 3.44Å; A386-A554 HydrophobicContact CB-CB 3.48Å; A386-A554 VanDerWaalsContact CB-CB 3.48Å; H552-A554 VanDerWaalsContact C-N 3.35Å; A554-C556 VanDerWaalsContact C-N 3.28Å; A554-C556 PolarHBondContact O-N 2.83Å; A554-L557 PolarHBondContact O-N 2.64Å; A554-E558 WeakPolarHBondContact O-CB 3.49Å; A554-E558 PolarHBondContact O-N 2.75Å
555	T	98.5	Very high	97.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58.4	-40.6	175.6	-53	0	0	0	0	111.8	H552 Y553 G559 I596 S653 V654 L657	H552-T555 WeakPolarHBondContact O-CB 3.21Å; H552-T555 PolarHBondContact O-N 3.32Å; Y553-T555 VanDerWaalsContact C-N 3.29Å; Y553-T555 PolarHBondContact O-N 2.61Å; T555-G559 PolarHBondContact O-N 2.75Å; T555-I596 HydrophobicContact CG2-CD1 3.4Å; T555-S653 WeakPolarHBondContact CG2-OG 3.35Å; T555-S653 PolarHBondContact OG1-OG 3.19Å; T555-V654 HydrophobicContact CG2-CB 3.91Å; T555-V654 HydrophobicContact CG2-CG2 4.22Å; T555-L657 HydrophobicContact CG2-CD1 3.88Å
556	C	98.3	Very high	97.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-67.2	-44.5	177.4	-59.6	0	0	0	0	112.4	I546 G548 H552 Y553 A554 A560	I546-C556 HydrophobicContact CB-CB 4.33Å; I546-C556 HydrophobicContact CG2-CB 3.96Å; G548-C556 WeakPolarHBondContact CA-SG 3.23Å; G548-C556 PolarHBondContact N-SG 3.13Å; H552-C556 PolarHBondContact O-N 2.91Å; H552-C556 VanDerWaalsContact O-N 3.14Å; H552-C556 PolarHBondContact O-SG 3.41Å; Y553-C556 WeakPolarHBondContact O-CB 3.34Å; Y553-C556 PolarHBondContact O-N 3.16Å; Y553-C556 VanDerWaalsContact O-N 3.16Å; A554-C556 VanDerWaalsContact C-N 3.28Å; A554-C556 PolarHBondContact O-N 2.83Å; C556-A560 VanDerWaalsContact O-CB 3.26Å; C556-A560 WeakPolarHBondContact O-CB 3.49Å; C556-A560 PolarHBondContact O-N 3.45Å
557	L	98.4	Very high	97	Very high	30 Å²	30	17.1 Å²	17.1	16%	0.157	8%	0.083	C	C	.	.	H	α-helix	trans	-62.4	-44.9	177.3	-63.9	178.5	0	0	0	111.4	Y553 A554 A560 L561	Y553-L557 HydrophobicContact CD1-CD1 4.27Å; Y553-L557 HydrophobicContact CD2-CG 4.39Å; Y553-L557 HydrophobicContact CE1-CD1 3.76Å; Y553-L557 HydrophobicContact CE2-CD1 4.12Å; Y553-L557 HydrophobicContact CE2-CD2 3.98Å; Y553-L557 HydrophobicContact CE2-CG 3.98Å; Y553-L557 PolarHBondContact O-N 2.99Å; Y553-L557 VanDerWaalsContact O-N 3.15Å; A554-L557 PolarHBondContact O-N 2.64Å; L557-A560 PolarHBondContact O-N 3.13Å; L557-L561 WeakPolarHBondContact O-CB 3.36Å; L557-L561 PolarHBondContact O-N 3.19Å
558	E	98.4	Very high	96.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-67.8	-47.2	-179.7	179.1	55	-158.6	0	0	112	T379 H382 Y481 A554 A560 L561 K562 V654	T379-E558 WeakPolarHBondContact CA-OE2 3.41Å; T379-E558 WeakPolarHBondContact CB-OE2 3.41Å; T379-E558 VanDerWaalsContact CG2-OE1 3.3Å; T379-E558 WeakPolarHBondContact CG2-OE1 3.31Å; T379-E558 WeakPolarHBondContact CG2-OE2 3.36Å; T379-E558 PolarHBondContact OG1-OE1 3.42Å; T379-E558 VanDerWaalsContact OG1-OE1 3.08Å; T379-E558 PolarHBondContact OG1-OE2 2.81Å; H382-E558 HydrophobicContact CB-CB 4.29Å; H382-E558 IonicContact CE1-OE2 2.62Å; H382-E558 IonicContact CG-OE2 2.69Å; H382-E558 WeakPolarHBondContact ND1-CA 3.36Å; H382-E558 IonicContact ND1-OE2 3.91Å; H382-E558 PolarHBondContact ND1-OE2 3.37Å; Y481-E558 HydrophobicContact CD2-CG 4.43Å; Y481-E558 HydrophobicContact CE2-CG 4.29Å; A554-E558 WeakPolarHBondContact O-CB 3.49Å; A554-E558 PolarHBondContact O-N 2.75Å; E558-A560 VanDerWaalsContact C-N 3.29Å; E558-A560 PolarHBondContact O-N 3.25Å; E558-L561 PolarHBondContact O-N 3.06Å; E558-L561 VanDerWaalsContact O-N 3.09Å; E558-K562 WeakPolarHBondContact O-CG 2.77Å; E558-K562 PolarHBondContact O-N 2.79Å; E558-K562 VanDerWaalsContact OE1-CD 3.32Å; E558-K562 WeakPolarHBondContact OE1-CD 3.4Å; E558-K562 WeakPolarHBondContact OE1-CE 3.34Å; E558-K562 WeakPolarHBondContact OE1-CG 3.43Å; E558-K562 IonicContact OE1-NZ 2.67Å; E558-V654 HydrophobicContact CB-CG2 4.19Å; E558-V654 HydrophobicContact CG-CG2 3.75Å
559	G	98	Very high	96.8	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-60.2	-39.8	176.1	0	0	0	0	0	112.6	T555 K562 I563	T555-G559 PolarHBondContact O-N 2.75Å; G559-K562 PolarHBondContact O-N 2.97Å; G559-I563 WeakPolarHBondContact O-CG1 3.15Å; G559-I563 PolarHBondContact O-N 2.85Å
560	A	98.2	Very high	96.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-67.3	-37.9	175	0	0	0	0	0	111.3	I546 C556 L557 E558 K564 S571	I546-A560 HydrophobicContact CD1-CB 4.09Å; C556-A560 VanDerWaalsContact O-CB 3.26Å; C556-A560 WeakPolarHBondContact O-CB 3.49Å; C556-A560 PolarHBondContact O-N 3.45Å; L557-A560 PolarHBondContact O-N 3.13Å; E558-A560 VanDerWaalsContact C-N 3.29Å; E558-A560 PolarHBondContact O-N 3.25Å; A560-K564 WeakPolarHBondContact O-CB 2.9Å; A560-K564 WeakPolarHBondContact O-CD 3.5Å; A560-K564 WeakPolarHBondContact O-CG 3.47Å; A560-K564 PolarHBondContact O-N 2.88Å; A560-S571 PolarHBondContact O-OG 2.92Å
561	L	97.8	Very high	97	Very high	31 Å²	31	21.4 Å²	21.4	16%	0.162	10%	0.095	C	C	.	.	H	α-helix	trans	-63.9	-47.4	174.7	-177.4	60.9	0	0	0	111.5	L557 E558 I563 K564 E565	L557-L561 WeakPolarHBondContact O-CB 3.36Å; L557-L561 PolarHBondContact O-N 3.19Å; E558-L561 PolarHBondContact O-N 3.06Å; E558-L561 VanDerWaalsContact O-N 3.09Å; L561-I563 PolarHBondContact O-N 3.43Å; L561-K564 WeakPolarHBondContact O-CB 3.09Å; L561-K564 PolarHBondContact O-N 2.88Å; L561-E565 HydrophobicContact CD1-CG 3.96Å; L561-E565 VanDerWaalsContact CD1-OE1 3.3Å; L561-E565 WeakPolarHBondContact CD1-OE1 3.39Å; L561-E565 HydrophobicContact CG-CG 4.25Å; L561-E565 VanDerWaalsContact CG-OE1 3.26Å; L561-E565 WeakPolarHBondContact CG-OE1 3.39Å; L561-E565 WeakPolarHBondContact O-CB 3.48Å; L561-E565 VanDerWaalsContact O-CG 3.29Å; L561-E565 WeakPolarHBondContact O-CG 3.41Å; L561-E565 PolarHBondContact O-N 2.88Å
562	K	97.3	Very high	97	Very high	1 Å²	1	25 Å²	25	0%	0.004	11%	0.112	C	C	.	.	H	α-helix	trans	-58.9	-48	177.8	-65.9	-51.2	88.8	171.6	0	112	T379 A476 E558 G559 K564 E565 I566	T379-K562 PolarHBondContact OG1-NZ 3.43Å; T379-K562 VanDerWaalsContact OG1-NZ 3.09Å; A476-K562 HydrophobicContact CB-CD 4.14Å; E558-K562 WeakPolarHBondContact O-CG 2.77Å; E558-K562 PolarHBondContact O-N 2.79Å; E558-K562 VanDerWaalsContact OE1-CD 3.32Å; E558-K562 WeakPolarHBondContact OE1-CD 3.4Å; E558-K562 WeakPolarHBondContact OE1-CE 3.34Å; E558-K562 WeakPolarHBondContact OE1-CG 3.43Å; E558-K562 IonicContact OE1-NZ 2.67Å; G559-K562 PolarHBondContact O-N 2.97Å; K562-K564 PolarHBondContact O-N 2.83Å; K562-E565 VanDerWaalsContact CE-OE2 3.23Å; K562-E565 WeakPolarHBondContact CE-OE2 3.35Å; K562-E565 IonicContact NZ-OE1 2.72Å; K562-E565 IonicContact NZ-OE2 3.65Å; K562-E565 PolarHBondContact NZ-OE2 3.27Å; K562-E565 PolarHBondContact O-N 2.96Å; K562-I566 WeakPolarHBondContact O-CG1 3.49Å; K562-I566 PolarHBondContact O-N 3.14Å
563	I	97.3	Very high	97	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.7	-43.7	178.5	-67.8	174.5	0	0	0	110.6	V544 I546 G559 L561 T567 M569 S571 L660	V544-I563 HydrophobicContact CG1-CD1 4.25Å; V544-I563 HydrophobicContact CG1-CG2 4.25Å; I546-I563 HydrophobicContact CD1-CD1 4.06Å; G559-I563 WeakPolarHBondContact O-CG1 3.15Å; G559-I563 PolarHBondContact O-N 2.85Å; L561-I563 PolarHBondContact O-N 3.43Å; I563-T567 HydrophobicContact CG2-CG2 4.32Å; I563-T567 WeakPolarHBondContact CG2-OG1 3.16Å; I563-T567 VanDerWaalsContact O-CB 3.29Å; I563-T567 WeakPolarHBondContact O-CB 2.98Å; I563-T567 WeakPolarHBondContact O-CG2 3.2Å; I563-T567 PolarHBondContact O-N 2.93Å; I563-T567 VanDerWaalsContact O-N 3.07Å; I563-T567 PolarHBondContact O-OG1 3.27Å; I563-M569 HydrophobicContact CG2-CB 3.87Å; I563-M569 HydrophobicContact CG2-CG 4.47Å; I563-M569 HydrophobicContact CG2-SD 4.18Å; I563-S571 WeakPolarHBondContact CB-OG 3.2Å; I563-S571 WeakPolarHBondContact CG2-OG 3.39Å; I563-L660 HydrophobicContact CD1-CD2 4.25Å
564	K	95.2	Very high	97	Very high	87 Å²	87	22.3 Å²	22.3	38%	0.378	11%	0.106	S	C	.	.	H	α-helix	trans	-57.3	-51.9	174.4	-74	166.1	-153.6	163.5	0	112.1	A560 L561 K562 I566 Y568 S571	A560-K564 WeakPolarHBondContact O-CB 2.9Å; A560-K564 WeakPolarHBondContact O-CD 3.5Å; A560-K564 WeakPolarHBondContact O-CG 3.47Å; A560-K564 PolarHBondContact O-N 2.88Å; L561-K564 WeakPolarHBondContact O-CB 3.09Å; L561-K564 PolarHBondContact O-N 2.88Å; K562-K564 PolarHBondContact O-N 2.83Å; K564-I566 PolarHBondContact O-N 2.94Å; K564-Y568 WeakPolarHBondContact O-CA 3.28Å; K564-Y568 PolarHBondContact O-N 3.32Å; K564-S571 WeakPolarHBondContact CE-O 3.33Å; K564-S571 WeakPolarHBondContact CG-OG 3.5Å; K564-S571 PolarHBondContact N-OG 2.96Å
565	E	93.3	Very high	96.9	Very high	39 Å²	39	25.1 Å²	25.1	18%	0.182	12%	0.121	C	C	.	.	H	α-helix	trans	-62.2	-45	-169.7	-77.2	176.6	177.1	0	0	112.4	L561 K562 Y568 P675 L678	L561-E565 HydrophobicContact CD1-CG 3.96Å; L561-E565 VanDerWaalsContact CD1-OE1 3.3Å; L561-E565 WeakPolarHBondContact CD1-OE1 3.39Å; L561-E565 HydrophobicContact CG-CG 4.25Å; L561-E565 VanDerWaalsContact CG-OE1 3.26Å; L561-E565 WeakPolarHBondContact CG-OE1 3.39Å; L561-E565 WeakPolarHBondContact O-CB 3.48Å; L561-E565 VanDerWaalsContact O-CG 3.29Å; L561-E565 WeakPolarHBondContact O-CG 3.41Å; L561-E565 PolarHBondContact O-N 2.88Å; K562-E565 VanDerWaalsContact CE-OE2 3.23Å; K562-E565 WeakPolarHBondContact CE-OE2 3.35Å; K562-E565 IonicContact NZ-OE1 2.72Å; K562-E565 IonicContact NZ-OE2 3.65Å; K562-E565 PolarHBondContact NZ-OE2 3.27Å; K562-E565 PolarHBondContact O-N 2.96Å; E565-Y568 VanDerWaalsContact O-CE1 3.25Å; E565-Y568 WeakPolarHBondContact O-CE1 3.44Å; E565-P675 VanDerWaalsContact O-CB 3.32Å; E565-P675 WeakPolarHBondContact O-CB 3.44Å; E565-L678 HydrophobicContact CB-CD1 4.01Å; E565-L678 HydrophobicContact CG-CD1 3.84Å
566	I	93.8	Very high	96.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-106.1	-25.3	-169.7	73.7	-168.7	0	0	0	113.9	M328 A476 K562 K564 S661 A665 P675	M328-I566 HydrophobicContact CE-CD1 3.36Å; M328-I566 HydrophobicContact SD-CD1 3.5Å; M328-I566 WeakPolarHBondContact SD-CD1 3.37Å; M328-I566 HydrophobicContact SD-CG2 4.33Å; A476-I566 HydrophobicContact CB-CG2 3.88Å; K562-I566 WeakPolarHBondContact O-CG1 3.49Å; K562-I566 PolarHBondContact O-N 3.14Å; K564-I566 PolarHBondContact O-N 2.94Å; I566-S661 VanDerWaalsContact CD1-C 3.46Å; I566-S661 VanDerWaalsContact CD1-CB 3.49Å; I566-S661 WeakPolarHBondContact CD1-O 3.44Å; I566-S661 VanDerWaalsContact CD1-OG 3.27Å; I566-S661 WeakPolarHBondContact CD1-OG 3.43Å; I566-A665 HydrophobicContact CB-CB 4.37Å; I566-A665 HydrophobicContact CG1-CB 4.07Å; I566-A665 WeakPolarHBondContact O-CB 3.43Å; I566-P675 HydrophobicContact CG2-CB 4.49Å
567	T	95.2	Very high	96.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-100.8	-17.9	-178.8	83.2	0	0	0	0	112.6	I563 M569 S661 L664 A665 R668 Y670	I563-T567 HydrophobicContact CG2-CG2 4.32Å; I563-T567 WeakPolarHBondContact CG2-OG1 3.16Å; I563-T567 VanDerWaalsContact O-CB 3.29Å; I563-T567 WeakPolarHBondContact O-CB 2.98Å; I563-T567 WeakPolarHBondContact O-CG2 3.2Å; I563-T567 PolarHBondContact O-N 2.93Å; I563-T567 VanDerWaalsContact O-N 3.07Å; I563-T567 PolarHBondContact O-OG1 3.27Å; T567-M569 PolarHBondContact O-N 2.98Å; T567-M569 VanDerWaalsContact O-N 3.09Å; T567-M569 WeakPolarHBondContact OG1-CB 3.49Å; T567-M569 PolarHBondContact OG1-N 3.29Å; T567-M569 VanDerWaalsContact OG1-N 3.1Å; T567-S661 VanDerWaalsContact CG2-O 3.27Å; T567-S661 WeakPolarHBondContact CG2-O 3.31Å; T567-L664 HydrophobicContact CG2-CB 3.49Å; T567-L664 VanDerWaalsContact CG2-CB 3.49Å; T567-L664 HydrophobicContact CG2-CD1 4.25Å; T567-A665 HydrophobicContact CG2-CB 4.28Å; T567-R668 PolarHBondContact O-NH1 2.66Å; T567-Y670 VanDerWaalsContact O-CE2 3.3Å; T567-Y670 WeakPolarHBondContact O-CE2 3.38Å
568	Y	94.9	Very high	96.4	Very high	57 Å²	57	30 Å²	30	22%	0.224	15%	0.153	C	C	.	.			trans	56.5	17.6	-171	-38.2	-53	0	0	0	114.5	K564 E565 Y670 P675 R676	K564-Y568 WeakPolarHBondContact O-CA 3.28Å; K564-Y568 PolarHBondContact O-N 3.32Å; E565-Y568 VanDerWaalsContact O-CE1 3.25Å; E565-Y568 WeakPolarHBondContact O-CE1 3.44Å; Y568-Y670 AromaticContact CD2-CD2 3.62Å; Y568-Y670 HydrophobicContact CD2-CD2 3.62Å; Y568-Y670 HydrophobicContact CD2-CE1 4.42Å; Y568-Y670 AromaticContact CD2-CE2 3.35Å; Y568-Y670 HydrophobicContact CD2-CE2 3.35Å; Y568-Y670 HydrophobicContact CD2-CG 4.27Å; Y568-Y670 AromaticContact CD2-CZ 3.81Å; Y568-Y670 HydrophobicContact CE2-CD1 4.17Å; Y568-Y670 AromaticContact CE2-CD2 3.56Å; Y568-Y670 HydrophobicContact CE2-CD2 3.56Å; Y568-Y670 HydrophobicContact CE2-CE1 4.35Å; Y568-Y670 AromaticContact CE2-CE2 3.76Å; Y568-Y670 HydrophobicContact CE2-CE2 3.76Å; Y568-Y670 AromaticContact CE2-CG 3.79Å; Y568-Y670 HydrophobicContact CE2-CG 3.79Å; Y568-Y670 HydrophobicContact CG-CE2 4.39Å; Y568-P675 WeakPolarHBondContact OH-CA 3.49Å; Y568-R676 HydrophobicContact CD1-CG 4.39Å; Y568-R676 HydrophobicContact CE1-CG 3.61Å; Y568-R676 HydrophobicContact CE2-CG 4.19Å; Y568-R676 PolarHBondContact OH-N 3.41Å
569	M	95.3	Very high	96.1	Very high	3 Å²	3	30 Å²	30	2%	0.015	15%	0.153	C	C	.	.			trans	-74.3	139	166.7	-170.6	-172.7	-69.5	0	0	108.9	L538 Q541 K542 V544 I563 T567 S571 L664	L538-M569 WeakPolarHBondContact O-CE 3.44Å; Q541-M569 HydrophobicContact CB-CE 4.31Å; Q541-M569 WeakPolarHBondContact O-CE 3.22Å; K542-M569 VanDerWaalsContact O-CG 3.24Å; K542-M569 WeakPolarHBondContact O-CG 3.02Å; V544-M569 HydrophobicContact CB-SD 3.91Å; V544-M569 HydrophobicContact CG1-CG 4.5Å; V544-M569 HydrophobicContact CG1-SD 3.48Å; V544-M569 WeakPolarHBondContact CG1-SD 2.93Å; I563-M569 HydrophobicContact CG2-CB 3.87Å; I563-M569 HydrophobicContact CG2-CG 4.47Å; I563-M569 HydrophobicContact CG2-SD 4.18Å; T567-M569 PolarHBondContact O-N 2.98Å; T567-M569 VanDerWaalsContact O-N 3.09Å; T567-M569 WeakPolarHBondContact OG1-CB 3.49Å; T567-M569 PolarHBondContact OG1-N 3.29Å; T567-M569 VanDerWaalsContact OG1-N 3.1Å; M569-S571 PolarHBondContact O-N 2.83Å; M569-L664 HydrophobicContact CE-CD1 4.07Å; M569-L664 HydrophobicContact CE-CD2 4.12Å
570	H	97.6	Very high	95.7	Very high	114 Å²	114	37 Å²	37	53%	0.528	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	94	172.7	-179.3	-155.7	0	0	0	109.6	K542 S543 V544	K542-H570 PolarHBondContact O-N 2.98Å; S543-H570 CarbonylContact C-O 3.45Å; S543-H570 WeakPolarHBondContact CA-O 3.31Å; S543-H570 WeakPolarHBondContact CB-O 3.42Å; V544-H570 PolarHBondContact N-O 2.84Å
571	S	97.5	Very high	95.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	148.2	174.1	45.4	0	0	0	0	110.6	V544 A560 I563 K564 M569	V544-S571 VanDerWaalsContact CG1-CB 3.47Å; V544-S571 CarbonylContact O-C 3.47Å; V544-S571 WeakPolarHBondContact O-CA 3.45Å; A560-S571 PolarHBondContact O-OG 2.92Å; I563-S571 WeakPolarHBondContact CB-OG 3.2Å; I563-S571 WeakPolarHBondContact CG2-OG 3.39Å; K564-S571 WeakPolarHBondContact CE-O 3.33Å; K564-S571 WeakPolarHBondContact CG-OG 3.5Å; K564-S571 PolarHBondContact N-OG 2.96Å; M569-S571 PolarHBondContact O-N 2.83Å
572	E	97.9	Very high	95.4	Very high	82 Å²	82	44.4 Å²	44.4	38%	0.383	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	130.9	178.7	-168.7	178	175	0	0	110.4	V544 L545 I546 I574	V544-E572 PolarHBondContact O-N 3.16Å; L545-E572 HydrophobicContact CD2-CB 4.04Å; I546-E572 PolarHBondContact N-O 3.28Å; E572-I574 HydrophobicContact CG-CG1 4.25Å
573	G	97.6	Very high	95.3	Very high	13 Å²	13	46.4 Å²	46.4	13%	0.134	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	117.7	175.8	0	0	0	0	0	109.7	I546	I546-G573 CarbonylContact O-C 3.55Å; I546-G573 WeakPolarHBondContact O-CA 3.43Å
574	I	97.6	Very high	95.2	Very high	10 Å²	10	47.7 Å²	47.7	5%	0.051	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131.2	-176.1	-63.1	169.1	0	0	0	109.6	L545 I546 M547 G548 E572 A576 L579 P583	L545-I574 HydrophobicContact CB-CD1 4.29Å; L545-I574 HydrophobicContact CD1-CD1 4.03Å; L545-I574 HydrophobicContact CD2-CD1 3.88Å; L545-I574 HydrophobicContact CG-CD1 4.29Å; I546-I574 PolarHBondContact O-N 3.19Å; M547-I574 WeakPolarHBondContact CA-O 3.26Å; M547-I574 HydrophobicContact CG-CB 4.4Å; G548-I574 PolarHBondContact N-O 2.87Å; E572-I574 HydrophobicContact CG-CG1 4.25Å; I574-A576 PolarHBondContact O-N 2.75Å; I574-L579 HydrophobicContact CG2-CD2 3.94Å; I574-P583 HydrophobicContact CD1-CB 3.96Å; I574-P583 HydrophobicContact CG2-CB 4.09Å; I574-P583 HydrophobicContact CG2-CG 4.34Å
575	L	97.6	Very high	95.2	Very high	60 Å²	60	48 Å²	48	31%	0.314	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	118.5	170.6	-176.8	62.2	0	0	0	109.3	R549 Y553 G577 E578	R549-L575 HydrophobicContact CB-CD1 4.03Å; Y553-L575 HydrophobicContact CD2-CB 3.96Å; Y553-L575 HydrophobicContact CD2-CD1 3.77Å; Y553-L575 HydrophobicContact CD2-CG 4.44Å; Y553-L575 HydrophobicContact CE2-CB 3.8Å; Y553-L575 HydrophobicContact CE2-CD1 4.39Å; Y553-L575 HydrophobicContact CG-CD1 3.94Å; L575-G577 PolarHBondContact O-N 3.17Å; L575-E578 HydrophobicContact CB-CG 4.23Å; L575-E578 HydrophobicContact CD2-CG 4.15Å; L575-E578 HydrophobicContact CG-CG 4.45Å; L575-E578 WeakPolarHBondContact O-CB 3.26Å; L575-E578 PolarHBondContact O-N 3.17Å
576	A	95.1	Very high	95.3	Very high	6 Å²	6	50.3 Å²	50.3	5%	0.05	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-60.4	-23.2	-173	0	0	0	0	0	113.9	G548 R549 I574 E578 L579 A609	G548-A576 PolarHBondContact O-N 3.32Å; R549-A576 HydrophobicContact CB-CB 4.32Å; I574-A576 PolarHBondContact O-N 2.75Å; A576-E578 VanDerWaalsContact C-N 3.28Å; A576-L579 WeakPolarHBondContact O-CD1 3.22Å; A576-L579 WeakPolarHBondContact O-CG 3.41Å; A576-A609 HydrophobicContact CB-CB 4.04Å
577	G	93.8	Very high	95.4	Very high	35 Å²	35	50.9 Å²	50.9	36%	0.361	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-67.3	-27.2	173	0	0	0	0	0	113.9	L575	L575-G577 PolarHBondContact O-N 3.17Å
578	E	94.8	Very high	95.3	Very high	92 Å²	92	54.2 Å²	54.2	43%	0.43	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-88	-4.4	-174.5	-67.8	-56.8	117.9	0	0	113.6	L575 A576 K580 H581 P583	L575-E578 HydrophobicContact CB-CG 4.23Å; L575-E578 HydrophobicContact CD2-CG 4.15Å; L575-E578 HydrophobicContact CG-CG 4.45Å; L575-E578 WeakPolarHBondContact O-CB 3.26Å; L575-E578 PolarHBondContact O-N 3.17Å; A576-E578 VanDerWaalsContact C-N 3.28Å; E578-K580 VanDerWaalsContact C-N 3.28Å; E578-K580 PolarHBondContact O-N 2.91Å; E578-K580 VanDerWaalsContact O-N 3.16Å; E578-H581 WeakPolarHBondContact O-CA 3.5Å; E578-H581 WeakPolarHBondContact O-CB 3.33Å; E578-H581 PolarHBondContact O-N 3.01Å; E578-H581 IonicContact OE2-CD2 3.31Å; E578-H581 IonicContact OE2-CG 3.74Å; E578-P583 WeakPolarHBondContact O-CD 3.2Å
579	L	92.3	Very high	95.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-51.8	-46.5	-174.8	-71.3	173.5	0	0	0	112.7	M547 I574 A576 H581 G582 L584 A609 V613	M547-L579 HydrophobicContact CE-CD2 3.58Å; M547-L579 HydrophobicContact CG-CD2 4.36Å; M547-L579 HydrophobicContact SD-CD1 3.91Å; M547-L579 HydrophobicContact SD-CD2 3.56Å; M547-L579 VanDerWaalsContact SD-CD2 3.56Å; M547-L579 HydrophobicContact SD-CG 4.35Å; I574-L579 HydrophobicContact CG2-CD2 3.94Å; A576-L579 WeakPolarHBondContact O-CD1 3.22Å; A576-L579 WeakPolarHBondContact O-CG 3.41Å; L579-H581 PolarHBondContact O-N 2.87Å; L579-G582 PolarHBondContact O-N 2.79Å; L579-L584 HydrophobicContact CB-CB 4.2Å; L579-L584 WeakPolarHBondContact O-CB 3.32Å; L579-L584 PolarHBondContact O-N 2.95Å; L579-A609 HydrophobicContact CD1-CB 3.96Å; L579-V613 HydrophobicContact CD1-CG2 4.26Å
580	K	90.2	Very high	95.1	Very high	146 Å²	146	63.8 Å²	63.8	64%	0.635	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-68.9	-13.2	-179.3	-70	-177.3	177.6	174.5	0	114.2	E578 G582 Q612	E578-K580 VanDerWaalsContact C-N 3.28Å; E578-K580 PolarHBondContact O-N 2.91Å; E578-K580 VanDerWaalsContact O-N 3.16Å; K580-G582 VanDerWaalsContact C-N 3.3Å; K580-Q612 VanDerWaalsContact CE-NE2 3.34Å
581	H	94.8	Very high	95	Very high	145 Å²	145	60.4 Å²	60.4	67%	0.671	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-91.6	10.5	-177.9	-62.7	-70.7	0	0	0	113	E578 L579	E578-H581 WeakPolarHBondContact O-CA 3.5Å; E578-H581 WeakPolarHBondContact O-CB 3.33Å; E578-H581 PolarHBondContact O-N 3.01Å; E578-H581 IonicContact OE2-CD2 3.31Å; E578-H581 IonicContact OE2-CG 3.74Å; L579-H581 PolarHBondContact O-N 2.87Å
582	G	93.8	Very high	94.9	Very high	43 Å²	43	61.2 Å²	61.2	44%	0.443	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	147.4	-53	173.3	0	0	0	0	0	113.8	L579 K580 L584 A585	L579-G582 PolarHBondContact O-N 2.79Å; K580-G582 VanDerWaalsContact C-N 3.3Å; G582-L584 PolarHBondContact O-N 2.62Å; G582-A585 VanDerWaalsContact O-CB 3.28Å; G582-A585 WeakPolarHBondContact O-CB 3.42Å; G582-A585 PolarHBondContact O-N 3.42Å
583	P	95.2	Very high	94.9	Very high	42 Å²	42	57.3 Å²	57.3	27%	0.273	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-59.4	-24.9	-170.9	-26.4	34	0	0	0	115.4	I574 E578 A585 L586	I574-P583 HydrophobicContact CD1-CB 3.96Å; I574-P583 HydrophobicContact CG2-CB 4.09Å; I574-P583 HydrophobicContact CG2-CG 4.34Å; E578-P583 WeakPolarHBondContact O-CD 3.2Å; P583-A585 PolarHBondContact O-N 2.98Å; P583-A585 VanDerWaalsContact O-N 3.14Å; P583-L586 WeakPolarHBondContact O-CB 3.29Å; P583-L586 PolarHBondContact O-N 2.75Å; P583-L586 VanDerWaalsContact O-N 3.08Å
584	L	94.9	Very high	94.9	Very high	27 Å²	27	56.8 Å²	56.8	14%	0.141	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-60.4	-21.5	175	-173.3	62.7	0	0	0	113	L579 G582 L586 V587 Q612 V613 R616	L579-L584 HydrophobicContact CB-CB 4.2Å; L579-L584 WeakPolarHBondContact O-CB 3.32Å; L579-L584 PolarHBondContact O-N 2.95Å; G582-L584 PolarHBondContact O-N 2.62Å; L584-L586 PolarHBondContact O-N 2.92Å; L584-V587 HydrophobicContact CD1-CB 4.18Å; L584-V587 HydrophobicContact CD1-CG2 3.98Å; L584-V587 WeakPolarHBondContact O-CB 3.45Å; L584-V587 PolarHBondContact O-N 3.23Å; L584-V587 VanDerWaalsContact O-N 3.1Å; L584-Q612 HydrophobicContact CD2-CB 4.31Å; L584-V613 HydrophobicContact CD1-CG2 4.37Å; L584-R616 HydrophobicContact CD1-CG 4.39Å; L584-R616 HydrophobicContact CG-CG 4.39Å
585	A	95.6	Very high	94.9	Very high	95 Å²	95	56.5 Å²	56.5	79%	0.785	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-64.1	-20.9	175.6	0	0	0	0	0	113.5	G582 P583 V587	G582-A585 VanDerWaalsContact O-CB 3.28Å; G582-A585 WeakPolarHBondContact O-CB 3.42Å; G582-A585 PolarHBondContact O-N 3.42Å; P583-A585 PolarHBondContact O-N 2.98Å; P583-A585 VanDerWaalsContact O-N 3.14Å; A585-V587 VanDerWaalsContact C-N 3.3Å
586	L	95.2	Very high	94.9	Very high	87 Å²	87	53.8 Å²	53.8	46%	0.455	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-78.9	-14.2	175.6	-61	176.7	0	0	0	112.9	L545 P583 L584 D588 M591	L545-L586 HydrophobicContact CD1-CB 4.02Å; L545-L586 HydrophobicContact CD1-CD1 4.39Å; P583-L586 WeakPolarHBondContact O-CB 3.29Å; P583-L586 PolarHBondContact O-N 2.75Å; P583-L586 VanDerWaalsContact O-N 3.08Å; L584-L586 PolarHBondContact O-N 2.92Å; L586-D588 PolarHBondContact O-N 3.27Å; L586-M591 WeakPolarHBondContact O-CB 3.43Å
587	V	95.6	Very high	95	Very high	11 Å²	11	53.5 Å²	53.5	7%	0.067	30%	0.297	C	S	.	.			trans	-81.9	120	-175.5	178.1	0	0	0	0	110	M547 L584 A585 V613 R616	M547-V587 HydrophobicContact CE-CG2 3.97Å; L584-V587 HydrophobicContact CD1-CB 4.18Å; L584-V587 HydrophobicContact CD1-CG2 3.98Å; L584-V587 WeakPolarHBondContact O-CB 3.45Å; L584-V587 PolarHBondContact O-N 3.23Å; L584-V587 VanDerWaalsContact O-N 3.1Å; A585-V587 VanDerWaalsContact C-N 3.3Å; V587-V613 HydrophobicContact CG1-CB 4.48Å; V587-V613 HydrophobicContact CG1-CG1 3.84Å; V587-R616 HydrophobicContact CB-CB 4.48Å; V587-R616 HydrophobicContact CG1-CB 4.08Å
588	D	93.4	Very high	95.1	Very high	71 Å²	71	52 Å²	52	38%	0.38	28%	0.281	S	S	.	.	S	Bend	trans	-142.3	-169.4	168.3	70.5	10.1	0	0	0	110.2	L586 L590 M591	L586-D588 PolarHBondContact O-N 3.27Å; D588-L590 PolarHBondContact O-N 3.44Å; D588-L590 WeakPolarHBondContact OD1-CA 3.41Å; D588-L590 WeakPolarHBondContact OD1-CB 3.39Å; D588-L590 PolarHBondContact OD1-N 2.9Å; D588-M591 PolarHBondContact OD1-N 3.5Å
589	K	93.4	Very high	95.1	Very high	139 Å²	139	53.1 Å²	53.1	60%	0.604	28%	0.281	S	S	*	.	S	Bend	trans	-69.4	-14.9	178.4	67.7	-176.1	177.7	-180	0	114.8	Q617	K589-Q617 WeakPolarHBondContact CA-O 3.25Å; K589-Q617 HydrophobicContact CB-CB 4.26Å
590	L	93.6	Very high	95.2	Very high	122 Å²	122	54 Å²	54	64%	0.639	29%	0.286	S	S	*	.	S	Bend	trans	-101	-35.7	-175.2	-61.5	179.1	0	0	0	111.7	D588 P592	D588-L590 PolarHBondContact O-N 3.44Å; D588-L590 WeakPolarHBondContact OD1-CA 3.41Å; D588-L590 WeakPolarHBondContact OD1-CB 3.39Å; D588-L590 PolarHBondContact OD1-N 2.9Å; L590-P592 WeakPolarHBondContact O-CD 3.23Å
591	M	95.1	Very high	95.5	Very high	43 Å²	43	52.4 Å²	52.4	21%	0.212	28%	0.281	C	S	.	.	S	Bend	trans	-64.4	115.7	-179.9	-177.2	57.4	69	0	0	110.5	L545 L586 D588 V593	L545-M591 HydrophobicContact CD1-CG 3.92Å; L545-M591 HydrophobicContact CD1-SD 4.37Å; L545-M591 HydrophobicContact CG-CG 4.07Å; L545-M591 HydrophobicContact CG-SD 4.02Å; L586-M591 WeakPolarHBondContact O-CB 3.43Å; D588-M591 PolarHBondContact OD1-N 3.5Å; M591-V593 HydrophobicContact CG-CG2 4.36Å; M591-V593 PolarHBondContact O-N 3.21Å
592	P	96.1	Very high	95.5	Very high	16 Å²	16	45.7 Å²	45.7	10%	0.104	25%	0.25	C	C	.	.			trans	-67.9	131	173	-17.5	32.8	0	0	0	110.2	L538 Q541 S543 V544 L545 L590	L538-P592 HydrophobicContact CD2-CB 3.78Å; L538-P592 HydrophobicContact CD2-CG 4.28Å; Q541-P592 HydrophobicContact CB-CG 3.84Å; Q541-P592 HydrophobicContact CG-CG 3.55Å; S543-P592 VanDerWaalsContact O-CD 3.25Å; S543-P592 WeakPolarHBondContact O-CD 3.47Å; S543-P592 VanDerWaalsContact O-CG 3.31Å; S543-P592 WeakPolarHBondContact O-CG 3.37Å; V544-P592 WeakPolarHBondContact CA-O 3.29Å; V544-P592 HydrophobicContact CB-CB 4.31Å; V544-P592 HydrophobicContact CG2-CB 4.13Å; L545-P592 PolarHBondContact N-O 3.37Å; L590-P592 WeakPolarHBondContact O-CD 3.23Å
593	V	96.8	Very high	95.6	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	132.9	178	-177.4	0	0	0	0	108.8	L545 M547 M591 M595 V613 P620 I621	L545-V593 HydrophobicContact CB-CG2 4.45Å; L545-V593 CarbonylContact O-C 3.55Å; L545-V593 WeakPolarHBondContact O-CA 3.2Å; M547-V593 HydrophobicContact CE-CG1 3.76Å; M547-V593 HydrophobicContact CE-CG2 4.32Å; M547-V593 HydrophobicContact CG-CG1 4.22Å; M547-V593 HydrophobicContact SD-CG1 3.68Å; M591-V593 HydrophobicContact CG-CG2 4.36Å; M591-V593 PolarHBondContact O-N 3.21Å; V593-M595 HydrophobicContact CG1-CG 3.76Å; V593-M595 HydrophobicContact CG1-SD 4.48Å; V593-V613 HydrophobicContact CG1-CG1 4.39Å; V593-V613 HydrophobicContact CG2-CG1 4.49Å; V593-P620 HydrophobicContact CB-CB 4.13Å; V593-P620 HydrophobicContact CG1-CB 4.11Å; V593-P620 CarbonylContact O-C 3.52Å; V593-P620 VanDerWaalsContact O-CA 3.23Å; V593-P620 WeakPolarHBondContact O-CA 3.36Å; V593-I621 PolarHBondContact O-N 3.3Å
594	I	97.8	Very high	95.6	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.5	168.3	-59.3	172.6	0	0	0	107.1	L538 V544 L545 I546 M547 I621 I623 L657 L660	L538-I594 HydrophobicContact CD1-CD1 4.5Å; V544-I594 HydrophobicContact CG2-CD1 3.91Å; V544-I594 HydrophobicContact CG2-CG1 3.97Å; L545-I594 PolarHBondContact O-N 3.26Å; I546-I594 CarbonylContact C-O 3.55Å; I546-I594 VanDerWaalsContact CA-O 3.32Å; I546-I594 WeakPolarHBondContact CA-O 3.29Å; I546-I594 HydrophobicContact CG1-CB 4.46Å; I546-I594 HydrophobicContact CG2-CB 4.34Å; I546-I594 HydrophobicContact CG2-CG2 4.41Å; M547-I594 PolarHBondContact N-O 2.72Å; I594-I621 CarbonylContact C-O 3.58Å; I594-I621 VanDerWaalsContact CA-O 3.3Å; I594-I621 WeakPolarHBondContact CA-O 3.37Å; I594-I621 HydrophobicContact CG1-CB 4.34Å; I594-I621 HydrophobicContact CG1-CD1 4.18Å; I594-I623 HydrophobicContact CG2-CD1 4Å; I594-I623 HydrophobicContact CG2-CG1 4.12Å; I594-L657 HydrophobicContact CD1-CD2 4.24Å; I594-L657 HydrophobicContact CG2-CD2 4.26Å; I594-L660 HydrophobicContact CD1-CD2 3.58Å
595	M	97.6	Very high	95.7	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.02	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.2	177.7	-58.4	-169.4	65.8	0	0	111.1	M547 V593 A609 L610 V613 P620 I621 L622 I623	M547-M595 HydrophobicContact CB-CE 4.42Å; M547-M595 HydrophobicContact CB-CG 4.2Å; M547-M595 WeakPolarHBondContact O-CA 3.39Å; M547-M595 HydrophobicContact SD-CE 4.45Å; M547-M595 HydrophobicContact SD-CG 4.4Å; M547-M595 HydrophobicContact SD-SD 4.5Å; V593-M595 HydrophobicContact CG1-CG 3.76Å; V593-M595 HydrophobicContact CG1-SD 4.48Å; M595-A609 HydrophobicContact CE-CB 3.92Å; M595-L610 HydrophobicContact CE-CB 4.26Å; M595-L610 HydrophobicContact SD-CB 4.31Å; M595-L610 HydrophobicContact SD-CD1 3.84Å; M595-V613 HydrophobicContact CE-CG2 4.34Å; M595-V613 HydrophobicContact SD-CB 4.11Å; M595-V613 HydrophobicContact SD-CG1 4.34Å; M595-V613 HydrophobicContact SD-CG2 3.87Å; M595-P620 HydrophobicContact CG-CB 3.76Å; M595-P620 HydrophobicContact SD-CB 3.92Å; M595-P620 HydrophobicContact SD-CG 4.08Å; M595-I621 PolarHBondContact N-O 3.35Å; M595-L622 HydrophobicContact CB-CD2 3.81Å; M595-L622 HydrophobicContact CG-CD2 4.43Å; M595-L622 CarbonylContact O-C 3.54Å; M595-L622 WeakPolarHBondContact O-CA 3.4Å; M595-I623 PolarHBondContact O-N 2.89Å
596	I	97.9	Very high	95.7	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.015	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	117.4	177.7	-48.3	-179.1	0	0	0	108.7	M547 H552 T555 M598 I623 L657	M547-I596 PolarHBondContact O-N 3.26Å; H552-I596 HydrophobicContact CB-CB 4.2Å; H552-I596 HydrophobicContact CB-CD1 4.45Å; H552-I596 HydrophobicContact CB-CG2 3.84Å; T555-I596 HydrophobicContact CG2-CD1 3.4Å; I596-M598 HydrophobicContact CG2-CE 3.75Å; I596-M598 HydrophobicContact CG2-CG 4.21Å; I596-I623 WeakPolarHBondContact CA-O 3.16Å; I596-I623 HydrophobicContact CG1-CB 4.49Å; I596-I623 HydrophobicContact CG1-CD1 4.41Å; I596-L657 HydrophobicContact CD1-CD1 4.31Å
597	I	96.8	Very high	95.7	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	99.7	-177	-50.3	-178	0	0	0	108.5	Y603 C606 L610 L622 I623 C624 T631	I597-Y603 HydrophobicContact CG2-CD2 4.03Å; I597-Y603 HydrophobicContact CG2-CE2 3.94Å; I597-C606 HydrophobicContact CB-CB 4.32Å; I597-C606 HydrophobicContact CG1-CB 4.15Å; I597-C606 HydrophobicContact CG2-CB 3.81Å; I597-L610 HydrophobicContact CD1-CB 3.91Å; I597-L610 HydrophobicContact CD1-CD2 3.74Å; I597-L610 HydrophobicContact CD1-CG 4.3Å; I597-L622 HydrophobicContact CD1-CD1 4.49Å; I597-L622 HydrophobicContact CD1-CD2 4.26Å; I597-I623 PolarHBondContact N-O 2.85Å; I597-C624 VanDerWaalsContact O-CA 3.23Å; I597-C624 WeakPolarHBondContact O-CA 3.04Å; I597-C624 WeakPolarHBondContact O-CB 3.22Å; I597-T631 HydrophobicContact CD1-CG2 4.31Å
598	M	96.5	Very high	95.7	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.015	23%	0.232	C	C	.	.			trans	-110	159.1	179.7	-61.1	-60.4	157.6	0	0	111.7	H552 I596 D600 Y603 I623 V641 Q649	H552-M598 VanDerWaalsContact CE1-CG 3.44Å; H552-M598 WeakPolarHBondContact CE1-CG 3.47Å; H552-M598 VanDerWaalsContact NE2-CB 3.34Å; H552-M598 WeakPolarHBondContact NE2-CB 3.43Å; H552-M598 WeakPolarHBondContact NE2-CG 3.41Å; I596-M598 HydrophobicContact CG2-CE 3.75Å; I596-M598 HydrophobicContact CG2-CG 4.21Å; M598-D600 PolarHBondContact O-N 3.28Å; M598-Y603 WeakPolarHBondContact O-CD2 3.44Å; M598-I623 HydrophobicContact CE-CB 4.23Å; M598-I623 HydrophobicContact CE-CG2 3.59Å; M598-I623 VanDerWaalsContact CE-O 3.24Å; M598-I623 WeakPolarHBondContact CE-O 3.34Å; M598-V641 HydrophobicContact CE-CG2 3.46Å; M598-V641 VanDerWaalsContact CE-CG2 3.46Å; M598-V641 HydrophobicContact SD-CG2 3.75Å; M598-Q649 HydrophobicContact CB-CG 4.05Å; M598-Q649 HydrophobicContact CG-CG 3.72Å; M598-Q649 HydrophobicContact SD-CG 4.03Å
599	R	94.6	Very high	95.8	Very high	117 Å²	117	44.5 Å²	44.5	44%	0.442	22%	0.215	S	C	.	.	S	Bend	trans	-76.2	65.6	179	-73.9	-84.8	176	162.6	-7.5	111.6	D625 D628	R599-D625 HydrophobicContact CG-CB 4Å; R599-D625 WeakPolarHBondContact CG-OD2 3.29Å; R599-D628 IonicContact CZ-OD1 2.73Å; R599-D628 IonicContact NE-OD1 3.62Å; R599-D628 IonicContact NH2-OD1 3.1Å; R599-D628 PolarHBondContact NH2-OD1 3.31Å
600	D	94.7	Very high	95.8	Very high	18 Å²	18	38.2 Å²	38.2	10%	0.096	19%	0.188	C	C	.	.	S	Bend	trans	-118.6	-175.3	173.3	70.5	16.5	0	0	0	111.9	H552 M598 T602 Y603 D646	H552-D600 IonicContact CD2-OD2 2.68Å; M598-D600 PolarHBondContact O-N 3.28Å; D600-T602 PolarHBondContact O-N 2.9Å; D600-T602 VanDerWaalsContact OD1-CA 3.25Å; D600-T602 WeakPolarHBondContact OD1-CA 3.32Å; D600-T602 WeakPolarHBondContact OD1-CB 3.48Å; D600-T602 PolarHBondContact OD1-N 3.46Å; D600-T602 PolarHBondContact OD1-OG1 2.88Å; D600-T602 PolarHBondContact OD2-OG1 3.08Å; D600-Y603 VanDerWaalsContact O-CB 3.28Å; D600-Y603 WeakPolarHBondContact O-CB 3.43Å; D600-Y603 PolarHBondContact O-N 3.2Å; D600-Y603 PolarHBondContact OD1-N 2.87Å; D600-D646 HydrophobicContact CB-CB 4.07Å
601	H	95.4	Very high	95.9	Very high	112 Å²	112	37.3 Å²	37.3	52%	0.519	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-14.2	177.5	65.8	90.2	0	0	0	114.3	Q389	Q389-H601 PolarHBondContact NE2-NE2 3.35Å
602	T	95.9	Very high	95.8	Very high	4 Å²	4	37.2 Å²	37.2	3%	0.025	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-1.7	177.2	75	0	0	0	0	114.4	D600 T604 K605 C606	D600-T602 PolarHBondContact O-N 2.9Å; D600-T602 VanDerWaalsContact OD1-CA 3.25Å; D600-T602 WeakPolarHBondContact OD1-CA 3.32Å; D600-T602 WeakPolarHBondContact OD1-CB 3.48Å; D600-T602 PolarHBondContact OD1-N 3.46Å; D600-T602 PolarHBondContact OD1-OG1 2.88Å; D600-T602 PolarHBondContact OD2-OG1 3.08Å; T602-T604 PolarHBondContact O-N 3.19Å; T602-K605 CarbonylContact O-C 3.34Å; T602-K605 WeakPolarHBondContact O-CA 3.44Å; T602-K605 WeakPolarHBondContact O-CB 3.4Å; T602-K605 PolarHBondContact O-N 3.11Å; T602-C606 PolarHBondContact O-N 2.91Å
603	Y	96	Very high	95.8	Very high	29 Å²	29	36.5 Å²	36.5	11%	0.114	17%	0.174	C	C	.	.	H	α-helix	trans	-45.2	-55.5	-176.8	-179.6	-101.2	0	0	0	113.8	I597 M598 D600 K605 C606 Q607 D628 T631	I597-Y603 HydrophobicContact CG2-CD2 4.03Å; I597-Y603 HydrophobicContact CG2-CE2 3.94Å; M598-Y603 WeakPolarHBondContact O-CD2 3.44Å; D600-Y603 VanDerWaalsContact O-CB 3.28Å; D600-Y603 WeakPolarHBondContact O-CB 3.43Å; D600-Y603 PolarHBondContact O-N 3.2Å; D600-Y603 PolarHBondContact OD1-N 2.87Å; Y603-K605 PolarHBondContact O-N 3.19Å; Y603-C606 WeakPolarHBondContact O-CB 3.18Å; Y603-C606 PolarHBondContact O-N 3.17Å; Y603-Q607 HydrophobicContact CD1-CG 4.29Å; Y603-Q607 HydrophobicContact CE1-CG 3.89Å; Y603-Q607 HydrophobicContact CE2-CG 4.48Å; Y603-Q607 VanDerWaalsContact CZ-NE2 3.3Å; Y603-Q607 PolarHBondContact O-N 2.72Å; Y603-Q607 PolarHBondContact OH-NE2 2.69Å; Y603-Q607 VanDerWaalsContact OH-NE2 3.12Å; Y603-D628 WeakPolarHBondContact CE2-OD2 3.32Å; Y603-D628 VanDerWaalsContact OH-CG 3.28Å; Y603-D628 PolarHBondContact OH-OD1 3.44Å; Y603-D628 PolarHBondContact OH-OD2 2.88Å; Y603-T631 PolarHBondContact OH-OG1 3.46Å
604	T	95.7	Very high	95.6	Very high	97 Å²	97	39.8 Å²	39.8	60%	0.595	19%	0.194	S	C	*	.	H	α-helix	trans	-60	-35	-180	-43.9	0	0	0	0	112	T602 Q607 N608	T602-T604 PolarHBondContact O-N 3.19Å; T604-Q607 PolarHBondContact O-N 3.41Å; T604-N608 VanDerWaalsContact O-CG 3.28Å; T604-N608 PolarHBondContact O-N 2.97Å; T604-N608 PolarHBondContact O-ND2 3.45Å
605	K	96.5	Very high	95.5	Very high	111 Å²	111	42.8 Å²	42.8	48%	0.483	22%	0.219	S	C	.	.	H	α-helix	trans	-73.7	-34.2	178.3	-58	179.3	-177.9	171.3	0	111.4	R549 T602 Y603 N608 A609	R549-K605 VanDerWaalsContact CZ-CD 3.45Å; R549-K605 VanDerWaalsContact NH2-CD 3.34Å; T602-K605 CarbonylContact O-C 3.34Å; T602-K605 WeakPolarHBondContact O-CA 3.44Å; T602-K605 WeakPolarHBondContact O-CB 3.4Å; T602-K605 PolarHBondContact O-N 3.11Å; Y603-K605 PolarHBondContact O-N 3.19Å; K605-N608 PolarHBondContact O-N 3Å; K605-A609 PolarHBondContact O-N 2.85Å; K605-A609 VanDerWaalsContact O-N 3.15Å
606	C	95.4	Very high	95.3	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.034	24%	0.244	C	C	.	.	H	α-helix	trans	-65.6	-43.1	171.5	-66.5	0	0	0	0	111.6	R549 I597 T602 Y603 N608 A609 L610	R549-C606 WeakPolarHBondContact CD-SG 3.35Å; R549-C606 WeakPolarHBondContact CG-SG 3.43Å; I597-C606 HydrophobicContact CB-CB 4.32Å; I597-C606 HydrophobicContact CG1-CB 4.15Å; I597-C606 HydrophobicContact CG2-CB 3.81Å; T602-C606 PolarHBondContact O-N 2.91Å; Y603-C606 WeakPolarHBondContact O-CB 3.18Å; Y603-C606 PolarHBondContact O-N 3.17Å; C606-N608 VanDerWaalsContact C-N 3.3Å; C606-N608 PolarHBondContact O-N 2.74Å; C606-A609 WeakPolarHBondContact O-CB 3.28Å; C606-A609 PolarHBondContact O-N 3.29Å; C606-L610 PolarHBondContact O-N 2.75Å
607	Q	94.8	Very high	95.1	Very high	18 Å²	18	55.7 Å²	55.7	8%	0.084	27%	0.273	C	S	.	.	H	α-helix	trans	-57.6	-43.8	173	-69.6	-61.4	-16.8	0	0	111.7	Y603 T604 A609 L610 Q611 T631	Y603-Q607 HydrophobicContact CD1-CG 4.29Å; Y603-Q607 HydrophobicContact CE1-CG 3.89Å; Y603-Q607 HydrophobicContact CE2-CG 4.48Å; Y603-Q607 VanDerWaalsContact CZ-NE2 3.3Å; Y603-Q607 PolarHBondContact O-N 2.72Å; Y603-Q607 PolarHBondContact OH-NE2 2.69Å; Y603-Q607 VanDerWaalsContact OH-NE2 3.12Å; T604-Q607 PolarHBondContact O-N 3.41Å; Q607-A609 VanDerWaalsContact C-N 3.27Å; Q607-A609 PolarHBondContact O-N 3.27Å; Q607-L610 WeakPolarHBondContact O-CB 3.43Å; Q607-L610 PolarHBondContact O-N 3.1Å; Q607-L610 VanDerWaalsContact O-N 3.14Å; Q607-Q611 WeakPolarHBondContact O-CG 3.49Å; Q607-Q611 PolarHBondContact O-N 2.92Å; Q607-T631 PolarHBondContact NE2-OG1 2.67Å
608	N	94.9	Very high	94.9	Very high	89 Å²	89	55.9 Å²	55.9	48%	0.476	28%	0.275	S	S	.	.	H	α-helix	trans	-61.3	-35.4	175.6	-72.5	-23.3	0	0	0	112.8	T604 K605 C606 Q612	T604-N608 VanDerWaalsContact O-CG 3.28Å; T604-N608 PolarHBondContact O-N 2.97Å; T604-N608 PolarHBondContact O-ND2 3.45Å; K605-N608 PolarHBondContact O-N 3Å; C606-N608 VanDerWaalsContact C-N 3.3Å; C606-N608 PolarHBondContact O-N 2.74Å; N608-Q612 VanDerWaalsContact O-CD 3.28Å; N608-Q612 WeakPolarHBondContact O-CG 2.99Å; N608-Q612 PolarHBondContact O-N 3.16Å; N608-Q612 PolarHBondContact O-NE2 2.85Å
609	A	95.7	Very high	94.8	Very high	3 Å²	3	65.1 Å²	65.1	3%	0.025	31%	0.31	C	S	.	.	H	α-helix	trans	-69.2	-41.3	174.2	0	0	0	0	0	111.4	A576 L579 M595 K605 C606 Q607 Q611 Q612 V613	A576-A609 HydrophobicContact CB-CB 4.04Å; L579-A609 HydrophobicContact CD1-CB 3.96Å; M595-A609 HydrophobicContact CE-CB 3.92Å; K605-A609 PolarHBondContact O-N 2.85Å; K605-A609 VanDerWaalsContact O-N 3.15Å; C606-A609 WeakPolarHBondContact O-CB 3.28Å; C606-A609 PolarHBondContact O-N 3.29Å; Q607-A609 VanDerWaalsContact C-N 3.27Å; Q607-A609 PolarHBondContact O-N 3.27Å; A609-Q611 VanDerWaalsContact C-N 3.34Å; A609-Q611 PolarHBondContact O-N 2.74Å; A609-Q612 WeakPolarHBondContact O-CB 3.13Å; A609-Q612 PolarHBondContact O-N 3.33Å; A609-Q612 VanDerWaalsContact O-N 3.12Å; A609-V613 PolarHBondContact O-N 3.49Å; A609-V613 VanDerWaalsContact O-N 3.11Å
610	L	95.1	Very high	94.7	Very high	7 Å²	7	59.9 Å²	59.9	4%	0.037	29%	0.291	C	S	.	.	H	α-helix	trans	-56.9	-48.1	175	174.8	60	0	0	0	111.3	M595 I597 C606 Q607 Q612 V613 V614 P620 L622	M595-L610 HydrophobicContact CE-CB 4.26Å; M595-L610 HydrophobicContact SD-CB 4.31Å; M595-L610 HydrophobicContact SD-CD1 3.84Å; I597-L610 HydrophobicContact CD1-CB 3.91Å; I597-L610 HydrophobicContact CD1-CD2 3.74Å; I597-L610 HydrophobicContact CD1-CG 4.3Å; C606-L610 PolarHBondContact O-N 2.75Å; Q607-L610 WeakPolarHBondContact O-CB 3.43Å; Q607-L610 PolarHBondContact O-N 3.1Å; Q607-L610 VanDerWaalsContact O-N 3.14Å; L610-Q612 PolarHBondContact O-N 3.23Å; L610-V613 PolarHBondContact O-N 2.88Å; L610-V614 HydrophobicContact CD1-CG2 3.96Å; L610-V614 HydrophobicContact CG-CG2 4.39Å; L610-V614 WeakPolarHBondContact O-CG2 3.06Å; L610-V614 PolarHBondContact O-N 2.87Å; L610-P620 HydrophobicContact CD1-CB 4.45Å; L610-P620 HydrophobicContact CD1-CG 3.4Å; L610-P620 VanDerWaalsContact CD1-CG 3.4Å; L610-L622 HydrophobicContact CD1-CD1 4.37Å; L610-L622 HydrophobicContact CD1-CD2 3.77Å; L610-L622 HydrophobicContact CD2-CD1 3.89Å
611	Q	93.9	Very high	94.8	Very high	102 Å²	102	59.7 Å²	59.7	48%	0.477	29%	0.29	S	S	.	.	H	α-helix	trans	-60.1	-34.8	177.7	-65.5	-57.1	-35.3	0	0	112.4	Q607 A609 A615	Q607-Q611 WeakPolarHBondContact O-CG 3.49Å; Q607-Q611 PolarHBondContact O-N 2.92Å; A609-Q611 VanDerWaalsContact C-N 3.34Å; A609-Q611 PolarHBondContact O-N 2.74Å; Q611-A615 WeakPolarHBondContact O-CB 3.37Å; Q611-A615 PolarHBondContact O-N 2.84Å
612	Q	94.2	Very high	94.9	Very high	42 Å²	42	54.4 Å²	54.4	20%	0.196	27%	0.266	C	S	.	.	H	α-helix	trans	-67.2	-41.6	176.9	-68.7	159.9	39.4	0	0	112.3	K580 L584 N608 A609 L610 R616	K580-Q612 VanDerWaalsContact CE-NE2 3.34Å; L584-Q612 HydrophobicContact CD2-CB 4.31Å; N608-Q612 VanDerWaalsContact O-CD 3.28Å; N608-Q612 WeakPolarHBondContact O-CG 2.99Å; N608-Q612 PolarHBondContact O-N 3.16Å; N608-Q612 PolarHBondContact O-NE2 2.85Å; A609-Q612 WeakPolarHBondContact O-CB 3.13Å; A609-Q612 PolarHBondContact O-N 3.33Å; A609-Q612 VanDerWaalsContact O-N 3.12Å; L610-Q612 PolarHBondContact O-N 3.23Å; Q612-R616 PolarHBondContact O-N 3.04Å
613	V	94.9	Very high	94.9	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.9	-47	176.8	171.8	0	0	0	0	110.4	M547 L579 L584 V587 V593 M595 A609 L610 A615 R616 G618 P620	M547-V613 HydrophobicContact CE-CG2 4.46Å; M547-V613 HydrophobicContact SD-CG2 3.88Å; L579-V613 HydrophobicContact CD1-CG2 4.26Å; L584-V613 HydrophobicContact CD1-CG2 4.37Å; V587-V613 HydrophobicContact CG1-CB 4.48Å; V587-V613 HydrophobicContact CG1-CG1 3.84Å; V593-V613 HydrophobicContact CG1-CG1 4.39Å; V593-V613 HydrophobicContact CG2-CG1 4.49Å; M595-V613 HydrophobicContact CE-CG2 4.34Å; M595-V613 HydrophobicContact SD-CB 4.11Å; M595-V613 HydrophobicContact SD-CG1 4.34Å; M595-V613 HydrophobicContact SD-CG2 3.87Å; A609-V613 PolarHBondContact O-N 3.49Å; A609-V613 VanDerWaalsContact O-N 3.11Å; L610-V613 PolarHBondContact O-N 2.88Å; V613-A615 VanDerWaalsContact C-N 3.35Å; V613-A615 PolarHBondContact O-N 2.78Å; V613-R616 CarbonylContact O-C 3.46Å; V613-R616 PolarHBondContact O-N 3.15Å; V613-G618 PolarHBondContact O-N 3.12Å; V613-G618 VanDerWaalsContact O-N 3.09Å; V613-P620 HydrophobicContact CG1-CB 4.36Å; V613-P620 HydrophobicContact CG1-CG 4.1Å
614	V	94.3	Very high	95	Very high	69 Å²	69	52.9 Å²	52.9	42%	0.418	26%	0.259	S	S	.	.	H	α-helix	trans	-63.6	-39.3	178.9	173.8	0	0	0	0	111.5	L610 R616 Q617 P620	L610-V614 HydrophobicContact CD1-CG2 3.96Å; L610-V614 HydrophobicContact CG-CG2 4.39Å; L610-V614 WeakPolarHBondContact O-CG2 3.06Å; L610-V614 PolarHBondContact O-N 2.87Å; V614-R616 PolarHBondContact O-N 2.94Å; V614-Q617 PolarHBondContact O-N 2.92Å; V614-P620 HydrophobicContact CG2-CG 4.41Å
615	A	94.1	Very high	95	Very high	65 Å²	65	48.5 Å²	48.5	54%	0.537	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-9.4	175	0	0	0	0	0	114.1	Q611 V613	Q611-A615 WeakPolarHBondContact O-CB 3.37Å; Q611-A615 PolarHBondContact O-N 2.84Å; V613-A615 VanDerWaalsContact C-N 3.35Å; V613-A615 PolarHBondContact O-N 2.78Å
616	R	95	Very high	94.8	Very high	145 Å²	145	48 Å²	48	55%	0.547	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	21.1	172.4	-61.9	-64.2	176.7	-106	4.6	112.6	L584 V587 Q612 V613 V614 G618	L584-R616 HydrophobicContact CD1-CG 4.39Å; L584-R616 HydrophobicContact CG-CG 4.39Å; V587-R616 HydrophobicContact CB-CB 4.48Å; V587-R616 HydrophobicContact CG1-CB 4.08Å; Q612-R616 PolarHBondContact O-N 3.04Å; V613-R616 CarbonylContact O-C 3.46Å; V613-R616 PolarHBondContact O-N 3.15Å; V614-R616 PolarHBondContact O-N 2.94Å; R616-G618 PolarHBondContact O-N 3.34Å
617	Q	93.6	Very high	94.6	Very high	133 Å²	133	53 Å²	53	62%	0.621	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	9.4	179.6	-49.9	179.2	-14	0	0	114.5	K589 V614	K589-Q617 WeakPolarHBondContact CA-O 3.25Å; K589-Q617 HydrophobicContact CB-CB 4.26Å; V614-Q617 PolarHBondContact O-N 2.92Å
618	G	92.6	Very high	94.5	Very high	4 Å²	4	52.1 Å²	52.1	4%	0.041	25%	0.252	C	S	.	.			trans	-61.9	140.1	170.8	0	0	0	0	0	110.4	V613 R616 P620	V613-G618 PolarHBondContact O-N 3.12Å; V613-G618 VanDerWaalsContact O-N 3.09Å; R616-G618 PolarHBondContact O-N 3.34Å; G618-P620 VanDerWaalsContact C-CD 3.43Å; G618-P620 VanDerWaalsContact O-CD 3.23Å; G618-P620 WeakPolarHBondContact O-CD 3.43Å
619	R	92.8	Very high	94.2	Very high	197 Å²	197	54.5 Å²	54.5	74%	0.743	26%	0.261	S	S	*	.			trans	-115.8	75	177.6	-65.2	-177.6	179.7	-174.3	-1.5	109.2
620	P	93.8	Very high	93.9	Very high	8 Å²	8	59.7 Å²	59.7	5%	0.052	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-71.1	142.5	-171.6	28.4	-33.6	0	0	0	111.5	V593 M595 L610 V613 V614 G618 L622	V593-P620 HydrophobicContact CB-CB 4.13Å; V593-P620 HydrophobicContact CG1-CB 4.11Å; V593-P620 CarbonylContact O-C 3.52Å; V593-P620 VanDerWaalsContact O-CA 3.23Å; V593-P620 WeakPolarHBondContact O-CA 3.36Å; M595-P620 HydrophobicContact CG-CB 3.76Å; M595-P620 HydrophobicContact SD-CB 3.92Å; M595-P620 HydrophobicContact SD-CG 4.08Å; L610-P620 HydrophobicContact CD1-CB 4.45Å; L610-P620 HydrophobicContact CD1-CG 3.4Å; L610-P620 VanDerWaalsContact CD1-CG 3.4Å; V613-P620 HydrophobicContact CG1-CB 4.36Å; V613-P620 HydrophobicContact CG1-CG 4.1Å; V614-P620 HydrophobicContact CG2-CG 4.41Å; G618-P620 VanDerWaalsContact C-CD 3.43Å; G618-P620 VanDerWaalsContact O-CD 3.23Å; G618-P620 WeakPolarHBondContact O-CD 3.43Å; P620-L622 HydrophobicContact CB-CD2 3.95Å; P620-L622 HydrophobicContact CG-CD2 4Å
621	I	96	Very high	93.5	Very high	14 Å²	14	59.3 Å²	59.3	7%	0.072	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	127.8	164.1	-60.4	139.9	0	0	0	107	L534 L538 V593 I594 M595 R637	L534-I621 HydrophobicContact CD1-CD1 3.62Å; L534-I621 HydrophobicContact CD1-CG1 3.85Å; L534-I621 HydrophobicContact CD1-CG2 4.12Å; L534-I621 HydrophobicContact CD2-CD1 4.48Å; L534-I621 HydrophobicContact CD2-CG2 3.81Å; L534-I621 HydrophobicContact CG-CD1 4.47Å; L538-I621 HydrophobicContact CD1-CD1 3.95Å; L538-I621 HydrophobicContact CD2-CD1 4.15Å; L538-I621 HydrophobicContact CG-CD1 4.39Å; V593-I621 PolarHBondContact O-N 3.3Å; I594-I621 CarbonylContact C-O 3.58Å; I594-I621 VanDerWaalsContact CA-O 3.3Å; I594-I621 WeakPolarHBondContact CA-O 3.37Å; I594-I621 HydrophobicContact CG1-CB 4.34Å; I594-I621 HydrophobicContact CG1-CD1 4.18Å; M595-I621 PolarHBondContact N-O 3.35Å; I621-R637 HydrophobicContact CG1-CB 4.31Å; I621-R637 HydrophobicContact CG2-CB 4.37Å; I621-R637 HydrophobicContact CG2-CG 4.27Å
622	L	96.9	Very high	93.3	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	133.3	-175.8	-52.7	-172.6	0	0	0	110.5	M595 I597 L610 P620 T631 S635 R637 A638 I639	M595-L622 HydrophobicContact CB-CD2 3.81Å; M595-L622 HydrophobicContact CG-CD2 4.43Å; M595-L622 CarbonylContact O-C 3.54Å; M595-L622 WeakPolarHBondContact O-CA 3.4Å; I597-L622 HydrophobicContact CD1-CD1 4.49Å; I597-L622 HydrophobicContact CD1-CD2 4.26Å; L610-L622 HydrophobicContact CD1-CD1 4.37Å; L610-L622 HydrophobicContact CD1-CD2 3.77Å; L610-L622 HydrophobicContact CD2-CD1 3.89Å; P620-L622 HydrophobicContact CB-CD2 3.95Å; P620-L622 HydrophobicContact CG-CD2 4Å; L622-T631 HydrophobicContact CB-CG2 4.43Å; L622-T631 HydrophobicContact CD1-CG2 3.33Å; L622-T631 HydrophobicContact CG-CG2 4.48Å; L622-S635 VanDerWaalsContact CD1-CB 3.42Å; L622-R637 PolarHBondContact N-O 2.97Å; L622-A638 CarbonylContact O-C 3.55Å; L622-A638 VanDerWaalsContact O-CA 3.26Å; L622-A638 WeakPolarHBondContact O-CA 3.41Å; L622-I639 PolarHBondContact O-N 3.12Å
623	I	97.6	Very high	92.8	Very high	0 Å²	0	63 Å²	63	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	112.5	160.7	-54	178.3	0	0	0	105.1	I594 M595 I596 I597 M598 I639 V641 P656 L657	I594-I623 HydrophobicContact CG2-CD1 4Å; I594-I623 HydrophobicContact CG2-CG1 4.12Å; M595-I623 PolarHBondContact O-N 2.89Å; I596-I623 WeakPolarHBondContact CA-O 3.16Å; I596-I623 HydrophobicContact CG1-CB 4.49Å; I596-I623 HydrophobicContact CG1-CD1 4.41Å; I597-I623 PolarHBondContact N-O 2.85Å; M598-I623 HydrophobicContact CE-CB 4.23Å; M598-I623 HydrophobicContact CE-CG2 3.59Å; M598-I623 VanDerWaalsContact CE-O 3.24Å; M598-I623 WeakPolarHBondContact CE-O 3.34Å; I623-I639 WeakPolarHBondContact CA-O 3.43Å; I623-I639 HydrophobicContact CG1-CB 4.33Å; I623-I639 HydrophobicContact CG1-CD1 4.25Å; I623-V641 HydrophobicContact CG2-CG1 4.09Å; I623-V641 HydrophobicContact CG2-CG2 4.39Å; I623-P656 HydrophobicContact CD1-CB 4.35Å; I623-L657 HydrophobicContact CD1-CD1 4.46Å; I623-L657 HydrophobicContact CD1-CD2 3.74Å; I623-L657 HydrophobicContact CD1-CG 3.97Å
624	C	96.8	Very high	91.8	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	168.5	-174.6	68.5	0	0	0	0	112.3	I597 T631 I639 K640 V641	I597-C624 VanDerWaalsContact O-CA 3.23Å; I597-C624 WeakPolarHBondContact O-CA 3.04Å; I597-C624 WeakPolarHBondContact O-CB 3.22Å; C624-T631 HydrophobicContact CB-CG2 3.98Å; C624-I639 PolarHBondContact N-O 2.7Å; C624-K640 WeakPolarHBondContact O-CA 3.4Å; C624-V641 WeakPolarHBondContact O-CG2 3.35Å; C624-V641 PolarHBondContact O-N 2.65Å
625	D	95.4	Very high	91.1	Very high	6 Å²	6	65.9 Å²	65.9	3%	0.032	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	142.1	172.9	-167.8	-13.1	0	0	0	110.8	R599 D627 D628 V641 H643	R599-D625 HydrophobicContact CG-CB 4Å; R599-D625 WeakPolarHBondContact CG-OD2 3.29Å; D625-D627 PolarHBondContact O-N 3.32Å; D625-D627 PolarHBondContact OD1-N 3.15Å; D625-D628 HydrophobicContact CB-CB 4.14Å; D625-D628 WeakPolarHBondContact O-CB 3.31Å; D625-D628 PolarHBondContact O-N 3.33Å; D625-D628 VanDerWaalsContact O-N 3.15Å; D625-V641 CarbonylContact C-O 3.41Å; D625-V641 WeakPolarHBondContact CA-O 3.47Å; D625-H643 WeakPolarHBondContact OD2-CB 3.48Å; D625-H643 IonicContact OD2-CD2 3.99Å; D625-H643 PolarHBondContact OD2-CD2 2.99Å; D625-H643 IonicContact OD2-CG 2.65Å
626	K	93.1	Very high	90.3	Very high	99 Å²	99	67.3 Å²	67.3	43%	0.43	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-33.8	179.7	-174.3	179.8	-177.5	177.9	0	112.6	E523 D628 I632 K640 V641	E523-K626 IonicContact OE1-NZ 3.63Å; E523-K626 PolarHBondContact OE1-NZ 3.46Å; K626-D628 VanDerWaalsContact C-N 3.3Å; K626-I632 WeakPolarHBondContact O-CD1 2.98Å; K626-K640 HydrophobicContact CB-CB 4.3Å; K626-K640 HydrophobicContact CG-CB 4.38Å; K626-V641 PolarHBondContact N-O 2.84Å
627	D	91.4	Very high	90.1	Very high	110 Å²	110	64 Å²	64	59%	0.588	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	4.1	-178.6	-62.7	-31.2	0	0	0	112.8	D625 H629	D625-D627 PolarHBondContact O-N 3.32Å; D625-D627 PolarHBondContact OD1-N 3.15Å; D627-H629 VanDerWaalsContact C-N 3.33Å; D627-H629 PolarHBondContact O-N 3.38Å
628	D	92.6	Very high	90.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.283	C	S	.	.			trans	-85.2	69.7	-178.5	-167.7	16.1	0	0	0	113.6	R599 Y603 D625 K626 E630 T631 I632	R599-D628 IonicContact CZ-OD1 2.73Å; R599-D628 IonicContact NE-OD1 3.62Å; R599-D628 IonicContact NH2-OD1 3.1Å; R599-D628 PolarHBondContact NH2-OD1 3.31Å; Y603-D628 WeakPolarHBondContact CE2-OD2 3.32Å; Y603-D628 VanDerWaalsContact OH-CG 3.28Å; Y603-D628 PolarHBondContact OH-OD1 3.44Å; Y603-D628 PolarHBondContact OH-OD2 2.88Å; D625-D628 HydrophobicContact CB-CB 4.14Å; D625-D628 WeakPolarHBondContact O-CB 3.31Å; D625-D628 PolarHBondContact O-N 3.33Å; D625-D628 VanDerWaalsContact O-N 3.15Å; K626-D628 VanDerWaalsContact C-N 3.3Å; D628-E630 PolarHBondContact O-N 2.99Å; D628-E630 VanDerWaalsContact O-N 3.16Å; D628-T631 PolarHBondContact O-N 2.85Å; D628-T631 WeakPolarHBondContact OD2-CB 3.3Å; D628-T631 PolarHBondContact OD2-OG1 3.38Å; D628-I632 WeakPolarHBondContact O-CD1 3.31Å; D628-I632 VanDerWaalsContact O-CG1 3.23Å; D628-I632 WeakPolarHBondContact O-CG1 3.1Å; D628-I632 PolarHBondContact O-N 2.9Å; D628-I632 VanDerWaalsContact O-N 3.08Å
629	H	89.6	Confident	90.3	Very high	140 Å²	140	58.6 Å²	58.6	65%	0.648	28%	0.283	S	S	*	.	H	α-helix	trans	-57.8	-30.3	-176.5	-61.1	-50.3	0	0	0	114.5	D627 K633	D627-H629 VanDerWaalsContact C-N 3.33Å; D627-H629 PolarHBondContact O-N 3.38Å; H629-K633 VanDerWaalsContact O-CB 3.29Å; H629-K633 WeakPolarHBondContact O-CB 3.3Å; H629-K633 PolarHBondContact O-N 2.93Å; H629-K633 VanDerWaalsContact O-N 3.1Å
630	E	87.7	Confident	90.5	Very high	111 Å²	111	53.1 Å²	53.1	52%	0.519	26%	0.264	S	S	.	.	H	α-helix	trans	-66.1	-50.6	179.3	-173.5	-175.3	172.4	0	0	111.1	D628 N634	D628-E630 PolarHBondContact O-N 2.99Å; D628-E630 VanDerWaalsContact O-N 3.16Å; E630-N634 PolarHBondContact O-N 3.12Å; E630-N634 PolarHBondContact O-ND2 2.64Å
631	T	87.8	Confident	90.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.7	-44.1	178.7	-59.9	0	0	0	0	111.5	I597 Y603 Q607 L622 C624 D628 K633 N634 S635	I597-T631 HydrophobicContact CD1-CG2 4.31Å; Y603-T631 PolarHBondContact OH-OG1 3.46Å; Q607-T631 PolarHBondContact NE2-OG1 2.67Å; L622-T631 HydrophobicContact CB-CG2 4.43Å; L622-T631 HydrophobicContact CD1-CG2 3.33Å; L622-T631 HydrophobicContact CG-CG2 4.48Å; C624-T631 HydrophobicContact CB-CG2 3.98Å; D628-T631 PolarHBondContact O-N 2.85Å; D628-T631 WeakPolarHBondContact OD2-CB 3.3Å; D628-T631 PolarHBondContact OD2-OG1 3.38Å; T631-K633 VanDerWaalsContact C-N 3.34Å; T631-K633 PolarHBondContact O-N 3.07Å; T631-N634 PolarHBondContact O-N 2.93Å; T631-S635 WeakPolarHBondContact O-CB 3.44Å; T631-S635 PolarHBondContact O-N 3.35Å
632	I	88.6	Confident	90.7	Very high	41 Å²	41	52.5 Å²	52.5	21%	0.21	26%	0.261	C	S	.	.	H	α-helix	trans	-60.4	-46	-178.8	-66	165.4	0	0	0	110.4	K626 D628 N634 S635 A638 K640	K626-I632 WeakPolarHBondContact O-CD1 2.98Å; D628-I632 WeakPolarHBondContact O-CD1 3.31Å; D628-I632 VanDerWaalsContact O-CG1 3.23Å; D628-I632 WeakPolarHBondContact O-CG1 3.1Å; D628-I632 PolarHBondContact O-N 2.9Å; D628-I632 VanDerWaalsContact O-N 3.08Å; I632-N634 VanDerWaalsContact C-N 3.3Å; I632-N634 PolarHBondContact O-N 2.95Å; I632-S635 PolarHBondContact O-N 3.18Å; I632-S635 PolarHBondContact O-OG 3.26Å; I632-A638 HydrophobicContact CG1-CB 4.39Å; I632-K640 HydrophobicContact CD1-CD 4.15Å; I632-K640 HydrophobicContact CD1-CG 4.1Å; I632-K640 HydrophobicContact CG1-CG 4.48Å
633	K	83.6	Confident	90.7	Very high	181 Å²	181	57.2 Å²	57.2	79%	0.787	28%	0.283	S	S	*	.	H	α-helix	trans	-64	-33.4	-178.1	-174	178.4	179	-177.4	0	113.2	H629 T631 S635	H629-K633 VanDerWaalsContact O-CB 3.29Å; H629-K633 WeakPolarHBondContact O-CB 3.3Å; H629-K633 PolarHBondContact O-N 2.93Å; H629-K633 VanDerWaalsContact O-N 3.1Å; T631-K633 VanDerWaalsContact C-N 3.34Å; T631-K633 PolarHBondContact O-N 3.07Å; K633-S635 VanDerWaalsContact C-N 3.34Å
634	N	74.6	Confident	90.6	Very high	102 Å²	102	57.6 Å²	57.6	55%	0.545	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	1.4	-177.5	-66.8	-28.8	0	0	0	113.2	E630 T631 I632	E630-N634 PolarHBondContact O-N 3.12Å; E630-N634 PolarHBondContact O-ND2 2.64Å; T631-N634 PolarHBondContact O-N 2.93Å; I632-N634 VanDerWaalsContact C-N 3.3Å; I632-N634 PolarHBondContact O-N 2.95Å
635	S	79.3	Confident	90.6	Very high	26 Å²	26	58.1 Å²	58.1	18%	0.182	29%	0.289	C	S	.	.			trans	-104.9	144	-178.4	77.6	0	0	0	0	112.1	L622 T631 I632 K633 R637 A638	L622-S635 VanDerWaalsContact CD1-CB 3.42Å; T631-S635 WeakPolarHBondContact O-CB 3.44Å; T631-S635 PolarHBondContact O-N 3.35Å; I632-S635 PolarHBondContact O-N 3.18Å; I632-S635 PolarHBondContact O-OG 3.26Å; K633-S635 VanDerWaalsContact C-N 3.34Å; S635-R637 VanDerWaalsContact C-N 3.35Å; S635-A638 WeakPolarHBondContact OG-CB 2.95Å
636	S	78.2	Confident	90.6	Very high	96 Å²	96	59.5 Å²	59.5	67%	0.671	30%	0.296	S	S	*	.	S	Bend	trans	-76.1	-27.1	168.4	51.1	0	0	0	0	112.3
637	R	90.8	Very high	90.8	Very high	75 Å²	75	54.8 Å²	54.8	28%	0.283	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	128.3	179.7	-160.2	70.5	167.6	-127.1	-12.7	109.6	L534 E537 I621 L622 S635	L534-R637 HydrophobicContact CD1-CG 4.32Å; E537-R637 IonicContact OE1-CZ 3.69Å; E537-R637 IonicContact OE1-NH1 2.87Å; E537-R637 PolarHBondContact OE1-NH1 2.88Å; E537-R637 IonicContact OE1-NH2 2.75Å; E537-R637 PolarHBondContact OE1-NH2 3.33Å; E537-R637 VanDerWaalsContact OE1-NH2 3.14Å; E537-R637 IonicContact OE2-NH1 3.46Å; I621-R637 HydrophobicContact CG1-CB 4.31Å; I621-R637 HydrophobicContact CG2-CB 4.37Å; I621-R637 HydrophobicContact CG2-CG 4.27Å; L622-R637 PolarHBondContact N-O 2.97Å; S635-R637 VanDerWaalsContact C-N 3.35Å
638	A	94.2	Very high	91.2	Very high	15 Å²	15	49.5 Å²	49.5	12%	0.124	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	128.5	176.2	0	0	0	0	0	110.9	L622 I632 S635	L622-A638 CarbonylContact O-C 3.55Å; L622-A638 VanDerWaalsContact O-CA 3.26Å; L622-A638 WeakPolarHBondContact O-CA 3.41Å; I632-A638 HydrophobicContact CG1-CB 4.39Å; S635-A638 WeakPolarHBondContact OG-CB 2.95Å
639	I	96.4	Very high	91.4	Very high	8 Å²	8	49.8 Å²	49.8	4%	0.041	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	116.3	164.9	-58.8	175	0	0	0	106.6	L527 I531 L534 L622 I623 C624 V641 P656	L527-I639 HydrophobicContact CD1-CG2 4.08Å; I531-I639 HydrophobicContact CG1-CD1 4.28Å; L534-I639 HydrophobicContact CD2-CD1 3.77Å; L622-I639 PolarHBondContact O-N 3.12Å; I623-I639 WeakPolarHBondContact CA-O 3.43Å; I623-I639 HydrophobicContact CG1-CB 4.33Å; I623-I639 HydrophobicContact CG1-CD1 4.25Å; C624-I639 PolarHBondContact N-O 2.7Å; I639-V641 HydrophobicContact CG2-CG1 4.4Å; I639-P656 HydrophobicContact CD1-CB 4.25Å; I639-P656 HydrophobicContact CG2-CB 4.12Å; I639-P656 HydrophobicContact CG2-CG 4.11Å
640	K	96.6	Very high	91.8	Very high	83 Å²	83	43.1 Å²	43.1	36%	0.361	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	105	-173.3	-64.7	167.5	-131.4	160.5	0	109.2	L527 C624 K626 I632	L527-K640 VanDerWaalsContact CD1-O 3.26Å; L527-K640 WeakPolarHBondContact CD1-O 3.4Å; C624-K640 WeakPolarHBondContact O-CA 3.4Å; K626-K640 HydrophobicContact CB-CB 4.3Å; K626-K640 HydrophobicContact CG-CB 4.38Å; I632-K640 HydrophobicContact CD1-CD 4.15Å; I632-K640 HydrophobicContact CD1-CG 4.1Å; I632-K640 HydrophobicContact CG1-CG 4.48Å
641	V	96.9	Very high	92.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	147.8	175.7	-61.9	0	0	0	0	109.9	V524 M598 I623 C624 D625 K626 I639 P656	V524-V641 HydrophobicContact CG1-CG1 4.45Å; V524-V641 HydrophobicContact CG2-CB 4.23Å; V524-V641 HydrophobicContact CG2-CG1 4.17Å; M598-V641 HydrophobicContact CE-CG2 3.46Å; M598-V641 VanDerWaalsContact CE-CG2 3.46Å; M598-V641 HydrophobicContact SD-CG2 3.75Å; I623-V641 HydrophobicContact CG2-CG1 4.09Å; I623-V641 HydrophobicContact CG2-CG2 4.39Å; C624-V641 WeakPolarHBondContact O-CG2 3.35Å; C624-V641 PolarHBondContact O-N 2.65Å; D625-V641 CarbonylContact C-O 3.41Å; D625-V641 WeakPolarHBondContact CA-O 3.47Å; K626-V641 PolarHBondContact N-O 2.84Å; I639-V641 HydrophobicContact CG2-CG1 4.4Å; V641-P656 HydrophobicContact CG1-CG 3.93Å
642	P	97.1	Very high	92.8	Very high	9 Å²	9	37.8 Å²	37.8	6%	0.058	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-69.7	153.2	178.7	30.7	-34.3	0	0	0	111.4	L520 E523 V524 Q649 L652	L520-P642 HydrophobicContact CB-CG 4.14Å; L520-P642 HydrophobicContact CD2-CB 3.92Å; L520-P642 HydrophobicContact CD2-CG 3.98Å; E523-P642 HydrophobicContact CB-CG 4.37Å; E523-P642 HydrophobicContact CG-CG 4.39Å; E523-P642 WeakPolarHBondContact OE2-CB 3.48Å; V524-P642 VanDerWaalsContact CG2-CD 3.49Å; V524-P642 HydrophobicContact CG2-CG 4.14Å; P642-Q649 PolarHBondContact O-NE2 3.36Å; P642-L652 HydrophobicContact CG-CD1 4.3Å; P642-L652 WeakPolarHBondContact O-CD1 3.21Å
643	H	96.1	Very high	93.2	Very high	99 Å²	99	35.9 Å²	35.9	46%	0.458	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-72.9	138.4	177	-175.4	-89.3	0	0	0	111.9	D625	D625-H643 WeakPolarHBondContact OD2-CB 3.48Å; D625-H643 IonicContact OD2-CD2 3.99Å; D625-H643 PolarHBondContact OD2-CD2 2.99Å; D625-H643 IonicContact OD2-CG 2.65Å
644	C	95.3	Very high	94	Very high	8 Å²	8	27.2 Å²	27.2	5%	0.054	15%	0.146	C	C	.	.			trans	-137.4	176.6	170.8	-159.8	0	0	0	0	109.2	L520 D646 L652	L520-C644 HydrophobicContact CD1-CB 3.76Å; L520-C644 VanDerWaalsContact CD1-SG 3.53Å; C644-D646 PolarHBondContact O-N 3.44Å; C644-L652 HydrophobicContact CB-CD1 3.73Å
645	V	96.6	Very high	95.1	Very high	11 Å²	11	22.4 Å²	22.4	7%	0.067	12%	0.12	C	C	.	.			trans	-57.4	139.3	170.8	77	0	0	0	0	109.4	E508 I509 C647 L648 Q649	E508-V645 HydrophobicContact CG-CB 4.44Å; E508-V645 HydrophobicContact CG-CG2 3.71Å; I509-V645 HydrophobicContact CG1-CG1 4.5Å; I509-V645 HydrophobicContact CG1-CG2 4.27Å; V645-C647 VanDerWaalsContact C-N 3.3Å; V645-C647 PolarHBondContact O-N 2.92Å; V645-L648 HydrophobicContact CG1-CB 3.66Å; V645-L648 HydrophobicContact CG1-CD1 3.43Å; V645-L648 VanDerWaalsContact CG1-CD1 3.43Å; V645-L648 HydrophobicContact CG1-CG 3.37Å; V645-L648 WeakPolarHBondContact O-CA 3.42Å; V645-L648 PolarHBondContact O-N 3.13Å; V645-Q649 PolarHBondContact O-N 3.35Å
646	D	96.9	Very high	96	Very high	35 Å²	35	21.1 Å²	21.1	19%	0.187	11%	0.111	C	C	.	.	H	α-helix	trans	-48.4	-45.5	-173.3	60.5	-18.4	0	0	0	113.9	R505 Y551 D600 C644 L648 Q649	R505-D646 IonicContact CZ-OD1 2.69Å; R505-D646 IonicContact NH1-OD1 2.69Å; R505-D646 PolarHBondContact NH1-OD1 3.08Å; R505-D646 IonicContact NH2-OD1 3.65Å; R505-D646 PolarHBondContact NH2-OD1 2.81Å; R505-D646 IonicContact NH2-OD2 3.82Å; R505-D646 PolarHBondContact NH2-OD2 3.3Å; Y551-D646 HydrophobicContact CD2-CB 4.08Å; Y551-D646 HydrophobicContact CE2-CB 3.85Å; Y551-D646 WeakPolarHBondContact CE2-OD2 3.44Å; D600-D646 HydrophobicContact CB-CB 4.07Å; C644-D646 PolarHBondContact O-N 3.44Å; D646-L648 VanDerWaalsContact C-N 3.26Å; D646-L648 PolarHBondContact O-N 3.1Å; D646-Q649 PolarHBondContact O-N 3.04Å
647	C	97.6	Very high	97	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-72.5	-13.4	-179.9	70	0	0	0	0	114.4	V390 F485 Y551 V645	V390-C647 HydrophobicContact CB-CB 3.91Å; V390-C647 HydrophobicContact CG1-CB 4.41Å; V390-C647 HydrophobicContact CG2-CB 3.93Å; F485-C647 VanDerWaalsContact CE1-O 3.3Å; F485-C647 WeakPolarHBondContact CE1-O 3.47Å; F485-C647 WeakPolarHBondContact CZ-O 3.34Å; Y551-C647 HydrophobicContact CD1-CB 4.39Å; Y551-C647 HydrophobicContact CE1-CB 3.74Å; V645-C647 VanDerWaalsContact C-N 3.3Å; V645-C647 PolarHBondContact O-N 2.92Å
648	L	98	Very high	97.3	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-100.4	-17.9	173.3	-63.1	177.2	0	0	0	112.9	I489 L513 V645 D646 G650 I651	I489-L648 HydrophobicContact CD1-CD2 3.19Å; I489-L648 HydrophobicContact CD1-CG 4.28Å; L513-L648 HydrophobicContact CD2-CD1 3.92Å; L513-L648 HydrophobicContact CD2-CD2 3.62Å; L513-L648 HydrophobicContact CD2-CG 4.48Å; L513-L648 HydrophobicContact CG-CD1 3.86Å; L513-L648 HydrophobicContact CG-CD2 4.25Å; V645-L648 HydrophobicContact CG1-CB 3.66Å; V645-L648 HydrophobicContact CG1-CD1 3.43Å; V645-L648 VanDerWaalsContact CG1-CD1 3.43Å; V645-L648 HydrophobicContact CG1-CG 3.37Å; V645-L648 WeakPolarHBondContact O-CA 3.42Å; V645-L648 PolarHBondContact O-N 3.13Å; D646-L648 VanDerWaalsContact C-N 3.26Å; D646-L648 PolarHBondContact O-N 3.1Å; L648-G650 PolarHBondContact O-N 3.01Å; L648-I651 HydrophobicContact CD2-CD1 4.14Å; L648-I651 WeakPolarHBondContact O-CB 3.13Å; L648-I651 PolarHBondContact O-N 3.41Å
649	Q	98.1	Very high	97.5	Very high	5 Å²	5	12.3 Å²	12.3	2%	0.023	6%	0.06	C	C	.	.	H	α-helix	trans	-58.2	-26.7	-176.6	-163.1	64	24.9	0	0	112.8	M598 P642 V645 D646 I651 L652 S653	M598-Q649 HydrophobicContact CB-CG 4.05Å; M598-Q649 HydrophobicContact CG-CG 3.72Å; M598-Q649 HydrophobicContact SD-CG 4.03Å; P642-Q649 PolarHBondContact O-NE2 3.36Å; V645-Q649 PolarHBondContact O-N 3.35Å; D646-Q649 PolarHBondContact O-N 3.04Å; Q649-I651 PolarHBondContact O-N 3.47Å; Q649-L652 PolarHBondContact O-N 3.19Å; Q649-L652 VanDerWaalsContact O-N 3.16Å; Q649-S653 WeakPolarHBondContact O-CB 3.32Å; Q649-S653 PolarHBondContact O-N 2.67Å; Q649-S653 PolarHBondContact O-OG 2.81Å; Q649-S653 VanDerWaalsContact O-OG 3.09Å
650	G	97.7	Very high	97.6	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-53.2	-37.9	172.1	0	0	0	0	0	113.5	L648 S653 V654	L648-G650 PolarHBondContact O-N 3.01Å; G650-S653 WeakPolarHBondContact CA-OG 3.38Å; G650-S653 PolarHBondContact O-OG 2.8Å; G650-S653 VanDerWaalsContact O-OG 3.1Å; G650-V654 PolarHBondContact O-N 3.48Å
651	I	98.1	Very high	97.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-66.4	-41.1	178.5	-63.1	171.9	0	0	0	110.9	T482 F485 V486 L516 I521 L648 Q649 V654 I655	T482-I651 HydrophobicContact CG2-CG2 3.87Å; F485-I651 HydrophobicContact CB-CD1 4.3Å; F485-I651 HydrophobicContact CB-CG1 4.25Å; F485-I651 HydrophobicContact CD1-CD1 4.24Å; F485-I651 HydrophobicContact CD1-CG1 4.3Å; F485-I651 HydrophobicContact CD2-CD1 4.33Å; F485-I651 HydrophobicContact CD2-CG1 3.57Å; F485-I651 HydrophobicContact CE2-CG1 3.91Å; F485-I651 HydrophobicContact CG-CD1 4.04Å; F485-I651 HydrophobicContact CG-CG1 3.79Å; F485-I651 HydrophobicContact CZ-CG1 4.45Å; V486-I651 HydrophobicContact CG2-CD1 3.67Å; L516-I651 HydrophobicContact CD1-CG2 4.34Å; L516-I651 HydrophobicContact CD2-CD1 3.77Å; L516-I651 HydrophobicContact CD2-CG2 4.41Å; I521-I651 HydrophobicContact CD1-CG2 4.05Å; I521-I651 HydrophobicContact CG1-CG2 4.48Å; L648-I651 HydrophobicContact CD2-CD1 4.14Å; L648-I651 WeakPolarHBondContact O-CB 3.13Å; L648-I651 PolarHBondContact O-N 3.41Å; Q649-I651 PolarHBondContact O-N 3.47Å; I651-V654 WeakPolarHBondContact O-CG1 3.29Å; I651-I655 WeakPolarHBondContact O-CD1 3.33Å; I651-I655 WeakPolarHBondContact O-CG1 3.34Å
652	L	98.3	Very high	97.7	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-74.8	-38.6	-179.8	-60.5	178.6	0	0	0	111.9	L516 L520 I521 V524 P642 C644 Q649 V654 P656	L516-L652 HydrophobicContact CD1-CD2 3.85Å; L516-L652 HydrophobicContact CD1-CG 4.11Å; L520-L652 HydrophobicContact CB-CD1 3.94Å; L520-L652 HydrophobicContact CB-CD2 3.77Å; L520-L652 HydrophobicContact CD1-CD1 4.04Å; I521-L652 HydrophobicContact CG1-CD2 3.8Å; V524-L652 HydrophobicContact CG2-CB 4.28Å; V524-L652 HydrophobicContact CG2-CD2 4.09Å; P642-L652 HydrophobicContact CG-CD1 4.3Å; P642-L652 WeakPolarHBondContact O-CD1 3.21Å; C644-L652 HydrophobicContact CB-CD1 3.73Å; Q649-L652 PolarHBondContact O-N 3.19Å; Q649-L652 VanDerWaalsContact O-N 3.16Å; L652-V654 VanDerWaalsContact C-N 3.34Å; L652-V654 PolarHBondContact O-N 3.22Å; L652-P656 WeakPolarHBondContact O-CD 3.29Å
653	S	98	Very high	97.7	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-72.6	-21.1	-177.8	61.7	0	0	0	0	114.5	H552 T555 Q649 G650	H552-S653 PolarHBondContact ND1-OG 3.05Å; H552-S653 VanDerWaalsContact ND1-OG 3.08Å; T555-S653 WeakPolarHBondContact CG2-OG 3.35Å; T555-S653 PolarHBondContact OG1-OG 3.19Å; Q649-S653 WeakPolarHBondContact O-CB 3.32Å; Q649-S653 PolarHBondContact O-N 2.67Å; Q649-S653 PolarHBondContact O-OG 2.81Å; Q649-S653 VanDerWaalsContact O-OG 3.09Å; G650-S653 WeakPolarHBondContact CA-OG 3.38Å; G650-S653 PolarHBondContact O-OG 2.8Å; G650-S653 VanDerWaalsContact O-OG 3.1Å
654	V	98.4	Very high	97.8	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-82.5	-31.4	179	79.5	0	0	0	0	113.1	Y481 T482 T555 E558 G650 I651 L652 L657 Q658	Y481-V654 HydrophobicContact CD1-CG1 4.17Å; Y481-V654 HydrophobicContact CE1-CB 4.28Å; Y481-V654 HydrophobicContact CE1-CG1 3.85Å; Y481-V654 HydrophobicContact CE1-CG2 4.16Å; T482-V654 HydrophobicContact CG2-CG1 4.29Å; T555-V654 HydrophobicContact CG2-CB 3.91Å; T555-V654 HydrophobicContact CG2-CG2 4.22Å; E558-V654 HydrophobicContact CB-CG2 4.19Å; E558-V654 HydrophobicContact CG-CG2 3.75Å; G650-V654 PolarHBondContact O-N 3.48Å; I651-V654 WeakPolarHBondContact O-CG1 3.29Å; L652-V654 VanDerWaalsContact C-N 3.34Å; L652-V654 PolarHBondContact O-N 3.22Å; V654-L657 WeakPolarHBondContact O-CA 3.4Å; V654-L657 WeakPolarHBondContact O-CB 3.33Å; V654-L657 PolarHBondContact O-N 3.08Å; V654-Q658 PolarHBondContact O-N 3.03Å
655	I	98.4	Very high	97.9	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-59.3	-42.1	-175.8	-65.3	160.8	0	0	0	111.8	I332 I521 V524 L525 I651 L657 Q658 L659	I332-I655 HydrophobicContact CG2-CG2 4.44Å; I521-I655 HydrophobicContact CB-CD1 4.39Å; I521-I655 HydrophobicContact CG1-CD1 4.04Å; I521-I655 HydrophobicContact CG2-CD1 3.83Å; V524-I655 HydrophobicContact CG1-CB 3.87Å; V524-I655 HydrophobicContact CG1-CG2 3.81Å; L525-I655 HydrophobicContact CD2-CG2 3.78Å; I651-I655 WeakPolarHBondContact O-CD1 3.33Å; I651-I655 WeakPolarHBondContact O-CG1 3.34Å; I655-L657 PolarHBondContact O-N 2.9Å; I655-Q658 WeakPolarHBondContact O-CB 3.28Å; I655-Q658 PolarHBondContact O-N 3.32Å; I655-Q658 VanDerWaalsContact O-N 3.11Å; I655-L659 HydrophobicContact CG2-CD1 4.18Å; I655-L659 HydrophobicContact CG2-CG 4.39Å; I655-L659 PolarHBondContact O-N 2.83Å
656	P	98.4	Very high	97.9	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-58.7	-32.7	174.1	-27.3	35.7	0	0	0	113.8	V524 I531 I623 I639 V641 L652 L660	V524-P656 HydrophobicContact CG1-CG 3.86Å; I531-P656 HydrophobicContact CD1-CB 3.93Å; I623-P656 HydrophobicContact CD1-CB 4.35Å; I639-P656 HydrophobicContact CD1-CB 4.25Å; I639-P656 HydrophobicContact CG2-CB 4.12Å; I639-P656 HydrophobicContact CG2-CG 4.11Å; V641-P656 HydrophobicContact CG1-CG 3.93Å; L652-P656 WeakPolarHBondContact O-CD 3.29Å; P656-L660 WeakPolarHBondContact O-CB 3.26Å; P656-L660 PolarHBondContact O-N 3.2Å
657	L	98.4	Very high	97.9	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	5%	0.045	C	C	.	.	H	α-helix	trans	-75.5	-34.7	177.3	-58.9	176.3	0	0	0	111.6	I546 T555 I594 I596 I623 V654 I655 L660 S661	I546-L657 HydrophobicContact CD1-CD2 4.47Å; I546-L657 HydrophobicContact CG2-CD1 4.27Å; T555-L657 HydrophobicContact CG2-CD1 3.88Å; I594-L657 HydrophobicContact CD1-CD2 4.24Å; I594-L657 HydrophobicContact CG2-CD2 4.26Å; I596-L657 HydrophobicContact CD1-CD1 4.31Å; I623-L657 HydrophobicContact CD1-CD1 4.46Å; I623-L657 HydrophobicContact CD1-CD2 3.74Å; I623-L657 HydrophobicContact CD1-CG 3.97Å; V654-L657 WeakPolarHBondContact O-CA 3.4Å; V654-L657 WeakPolarHBondContact O-CB 3.33Å; V654-L657 PolarHBondContact O-N 3.08Å; I655-L657 PolarHBondContact O-N 2.9Å; L657-L660 HydrophobicContact CD2-CD2 4.49Å; L657-S661 WeakPolarHBondContact O-CB 3.18Å; L657-S661 PolarHBondContact O-N 3.36Å; L657-S661 PolarHBondContact O-OG 3.34Å
658	Q	98.4	Very high	97.8	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-62.3	-50.1	171.1	-65	171.3	-17.1	0	0	110.7	I332 T478 V654 I655 L660 S661 F662	I332-Q658 HydrophobicContact CD1-CB 3.94Å; I332-Q658 HydrophobicContact CG1-CB 4.14Å; T478-Q658 HydrophobicContact CG2-CG 4.5Å; V654-Q658 PolarHBondContact O-N 3.03Å; I655-Q658 WeakPolarHBondContact O-CB 3.28Å; I655-Q658 PolarHBondContact O-N 3.32Å; I655-Q658 VanDerWaalsContact O-N 3.11Å; Q658-L660 PolarHBondContact O-N 3.1Å; Q658-S661 PolarHBondContact O-N 3.04Å; Q658-S661 PolarHBondContact O-OG 3.49Å; Q658-F662 PolarHBondContact O-N 3.33Å
659	L	98.3	Very high	97.6	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62	-43.1	176.1	-69.4	175.8	0	0	0	112	I332 F333 L525 D528 I531 I655 S661 F662 H663	I332-L659 HydrophobicContact CD1-CD2 4.48Å; I332-L659 HydrophobicContact CG2-CD2 3.59Å; I332-L659 HydrophobicContact CG2-CG 4.05Å; F333-L659 HydrophobicContact CD2-CD2 4.44Å; F333-L659 HydrophobicContact CE2-CD2 3.67Å; F333-L659 HydrophobicContact CZ-CD2 4.22Å; L525-L659 HydrophobicContact CD2-CD1 4.37Å; D528-L659 WeakPolarHBondContact OD1-CD2 3.47Å; I531-L659 HydrophobicContact CB-CB 4.49Å; I531-L659 HydrophobicContact CD1-CB 3.95Å; I531-L659 HydrophobicContact CD1-CD1 3.58Å; I531-L659 HydrophobicContact CD1-CG 4.41Å; I531-L659 HydrophobicContact CG2-CB 3.89Å; I655-L659 HydrophobicContact CG2-CD1 4.18Å; I655-L659 HydrophobicContact CG2-CG 4.39Å; I655-L659 PolarHBondContact O-N 2.83Å; L659-S661 VanDerWaalsContact C-N 3.32Å; L659-S661 PolarHBondContact O-N 2.7Å; L659-F662 WeakPolarHBondContact O-CB 3.41Å; L659-F662 PolarHBondContact O-N 3.42Å; L659-H663 PolarHBondContact O-CD2 3.35Å; L659-H663 PolarHBondContact O-N 3.21Å
660	L	98.3	Very high	97.3	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-59.7	-45.4	177.1	178.2	61.1	0	0	0	110.9	I531 L534 A535 L538 I563 I594 P656 L657 Q658 F662 H663 L664	I531-L660 HydrophobicContact CG2-CB 3.82Å; I531-L660 HydrophobicContact CG2-CD1 4.4Å; L534-L660 HydrophobicContact CD2-CD1 4.2Å; L534-L660 HydrophobicContact CD2-CD2 4.3Å; L534-L660 HydrophobicContact CG-CD1 4.18Å; A535-L660 HydrophobicContact CB-CD1 3.9Å; L538-L660 HydrophobicContact CD1-CD1 4.31Å; L538-L660 HydrophobicContact CD1-CD2 4.2Å; I563-L660 HydrophobicContact CD1-CD2 4.25Å; I594-L660 HydrophobicContact CD1-CD2 3.58Å; P656-L660 WeakPolarHBondContact O-CB 3.26Å; P656-L660 PolarHBondContact O-N 3.2Å; L657-L660 HydrophobicContact CD2-CD2 4.49Å; Q658-L660 PolarHBondContact O-N 3.1Å; L660-F662 VanDerWaalsContact C-N 3.34Å; L660-F662 PolarHBondContact O-N 3.43Å; L660-H663 PolarHBondContact O-N 3.31Å; L660-L664 HydrophobicContact CD1-CD1 4.07Å; L660-L664 HydrophobicContact CD1-CG 4.1Å; L660-L664 HydrophobicContact CG-CD1 3.9Å; L660-L664 HydrophobicContact CG-CG 4.38Å; L660-L664 VanDerWaalsContact O-CB 3.29Å; L660-L664 WeakPolarHBondContact O-CB 3.45Å; L660-L664 WeakPolarHBondContact O-CG 3.44Å; L660-L664 PolarHBondContact O-N 3.03Å
661	S	97.6	Very high	97	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.5	-43	177.4	71.1	0	0	0	0	111.5	I566 T567 L657 Q658 L659 L664 A665	I566-S661 VanDerWaalsContact CD1-C 3.46Å; I566-S661 VanDerWaalsContact CD1-CB 3.49Å; I566-S661 WeakPolarHBondContact CD1-O 3.44Å; I566-S661 VanDerWaalsContact CD1-OG 3.27Å; I566-S661 WeakPolarHBondContact CD1-OG 3.43Å; T567-S661 VanDerWaalsContact CG2-O 3.27Å; T567-S661 WeakPolarHBondContact CG2-O 3.31Å; L657-S661 WeakPolarHBondContact O-CB 3.18Å; L657-S661 PolarHBondContact O-N 3.36Å; L657-S661 PolarHBondContact O-OG 3.34Å; Q658-S661 PolarHBondContact O-N 3.04Å; Q658-S661 PolarHBondContact O-OG 3.49Å; L659-S661 VanDerWaalsContact C-N 3.32Å; L659-S661 PolarHBondContact O-N 2.7Å; S661-L664 PolarHBondContact O-N 3.06Å; S661-A665 PolarHBondContact O-N 3.11Å; S661-A665 VanDerWaalsContact O-N 3.08Å
662	F	97.8	Very high	96.6	Very high	8 Å²	8	21.5 Å²	21.5	4%	0.035	12%	0.123	C	C	.	.	H	α-helix	trans	-59.5	-53.7	176.8	166.1	-101.7	0	0	0	111.3	S326 Q329 I332 Q658 L659 L660 L664 A665 V666 V672	S326-F662 WeakPolarHBondContact OG-CE2 3.38Å; Q329-F662 HydrophobicContact CB-CD2 4.39Å; Q329-F662 HydrophobicContact CB-CE2 3.84Å; Q329-F662 HydrophobicContact CB-CZ 3.92Å; Q329-F662 HydrophobicContact CG-CE1 4.28Å; Q329-F662 HydrophobicContact CG-CE2 4.43Å; Q329-F662 HydrophobicContact CG-CZ 4.01Å; I332-F662 HydrophobicContact CD1-CB 4.38Å; Q658-F662 PolarHBondContact O-N 3.33Å; L659-F662 WeakPolarHBondContact O-CB 3.41Å; L659-F662 PolarHBondContact O-N 3.42Å; L660-F662 VanDerWaalsContact C-N 3.34Å; L660-F662 PolarHBondContact O-N 3.43Å; F662-L664 VanDerWaalsContact C-N 3.35Å; F662-L664 PolarHBondContact O-N 3.02Å; F662-A665 PolarHBondContact O-N 3.07Å; F662-V666 HydrophobicContact CD2-CG2 4.26Å; F662-V666 HydrophobicContact CE1-CG2 4.29Å; F662-V666 HydrophobicContact CE2-CG2 3.8Å; F662-V666 HydrophobicContact CZ-CG2 3.82Å; F662-V666 WeakPolarHBondContact O-CG2 3.46Å; F662-V666 PolarHBondContact O-N 2.76Å; F662-V672 HydrophobicContact CD2-CB 4.34Å; F662-V672 HydrophobicContact CD2-CG1 3.95Å; F662-V672 HydrophobicContact CD2-CG2 4.11Å; F662-V672 HydrophobicContact CE2-CG1 4.37Å; F662-V672 HydrophobicContact CE2-CG2 4.03Å
663	H	98.1	Very high	96.1	Very high	8 Å²	8	22 Å²	22	4%	0.037	13%	0.125	C	C	.	.	H	α-helix	trans	-64	-38.2	-178.8	-72.7	-61.1	0	0	0	112.6	D528 A535 L659 L660 A665 V666 L667	D528-H663 IonicContact OD1-CD2 2.8Å; D528-H663 IonicContact OD1-CE1 3.95Å; D528-H663 IonicContact OD1-NE2 3.89Å; D528-H663 PolarHBondContact OD1-NE2 3.39Å; D528-H663 IonicContact OD2-CE1 2.92Å; D528-H663 IonicContact OD2-NE2 2.75Å; A535-H663 HydrophobicContact CB-CB 3.52Å; L659-H663 PolarHBondContact O-CD2 3.35Å; L659-H663 PolarHBondContact O-N 3.21Å; L660-H663 PolarHBondContact O-N 3.31Å; H663-A665 VanDerWaalsContact C-N 3.35Å; H663-A665 PolarHBondContact O-N 3.05Å; H663-V666 PolarHBondContact O-N 2.94Å; H663-L667 WeakPolarHBondContact O-CB 3.39Å; H663-L667 VanDerWaalsContact O-CG 3.29Å; H663-L667 WeakPolarHBondContact O-CG 3.42Å; H663-L667 PolarHBondContact O-N 3.26Å
664	L	97.6	Very high	95.3	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-60.9	-42.6	174.7	-78.8	173	0	0	0	112.2	A535 L538 Y539 T567 M569 L660 S661 F662 R668	A535-L664 HydrophobicContact CB-CD2 4.18Å; A535-L664 HydrophobicContact CB-CG 4.12Å; A535-L664 WeakPolarHBondContact O-CD2 3.35Å; L538-L664 HydrophobicContact CB-CD2 3.93Å; Y539-L664 VanDerWaalsContact CA-CD2 3.5Å; T567-L664 HydrophobicContact CG2-CB 3.49Å; T567-L664 VanDerWaalsContact CG2-CB 3.49Å; T567-L664 HydrophobicContact CG2-CD1 4.25Å; M569-L664 HydrophobicContact CE-CD1 4.07Å; M569-L664 HydrophobicContact CE-CD2 4.12Å; L660-L664 HydrophobicContact CD1-CD1 4.07Å; L660-L664 HydrophobicContact CD1-CG 4.1Å; L660-L664 HydrophobicContact CG-CD1 3.9Å; L660-L664 HydrophobicContact CG-CG 4.38Å; L660-L664 VanDerWaalsContact O-CB 3.29Å; L660-L664 WeakPolarHBondContact O-CB 3.45Å; L660-L664 WeakPolarHBondContact O-CG 3.44Å; L660-L664 PolarHBondContact O-N 3.03Å; S661-L664 PolarHBondContact O-N 3.06Å; F662-L664 VanDerWaalsContact C-N 3.35Å; F662-L664 PolarHBondContact O-N 3.02Å; L664-R668 WeakPolarHBondContact O-CB 3.42Å; L664-R668 VanDerWaalsContact O-CG 3.26Å; L664-R668 WeakPolarHBondContact O-CG 3.33Å; L664-R668 PolarHBondContact O-N 3.14Å; L664-R668 VanDerWaalsContact O-N 3.08Å
665	A	96.6	Very high	94.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-67	-42.7	177.8	0	0	0	0	0	111.8	I566 T567 S661 F662 H663 R668 G669 Y670 V672	I566-A665 HydrophobicContact CB-CB 4.37Å; I566-A665 HydrophobicContact CG1-CB 4.07Å; I566-A665 WeakPolarHBondContact O-CB 3.43Å; T567-A665 HydrophobicContact CG2-CB 4.28Å; S661-A665 PolarHBondContact O-N 3.11Å; S661-A665 VanDerWaalsContact O-N 3.08Å; F662-A665 PolarHBondContact O-N 3.07Å; H663-A665 VanDerWaalsContact C-N 3.35Å; H663-A665 PolarHBondContact O-N 3.05Å; A665-R668 CarbonylContact O-C 3.53Å; A665-R668 PolarHBondContact O-N 3.33Å; A665-G669 PolarHBondContact O-N 3.32Å; A665-G669 VanDerWaalsContact O-N 3.16Å; A665-Y670 PolarHBondContact O-N 3.35Å; A665-V672 HydrophobicContact CB-CG1 3.52Å
666	V	96.4	Very high	93.7	Very high	75 Å²	75	29.6 Å²	29.6	46%	0.455	16%	0.157	S	C	.	.	H	α-helix	trans	-60.3	-47.4	175.2	173	0	0	0	0	111.1	F662 H663 R668 G669 V672	F662-V666 HydrophobicContact CD2-CG2 4.26Å; F662-V666 HydrophobicContact CE1-CG2 4.29Å; F662-V666 HydrophobicContact CE2-CG2 3.8Å; F662-V666 HydrophobicContact CZ-CG2 3.82Å; F662-V666 WeakPolarHBondContact O-CG2 3.46Å; F662-V666 PolarHBondContact O-N 2.76Å; H663-V666 PolarHBondContact O-N 2.94Å; V666-R668 PolarHBondContact O-N 2.85Å; V666-G669 PolarHBondContact O-N 3.38Å; V666-V672 HydrophobicContact CG2-CG1 4.35Å
667	L	96.8	Very high	92.6	Very high	73 Å²	73	36 Å²	36	38%	0.382	19%	0.191	S	C	.	.	H	α-helix	trans	-62.4	-29.4	177.5	-74.3	172.7	0	0	0	113	A535 Y539 H663 G669	A535-L667 HydrophobicContact CB-CD1 3.79Å; Y539-L667 HydrophobicContact CG-CB 4.31Å; H663-L667 WeakPolarHBondContact O-CB 3.39Å; H663-L667 VanDerWaalsContact O-CG 3.29Å; H663-L667 WeakPolarHBondContact O-CG 3.42Å; H663-L667 PolarHBondContact O-N 3.26Å; L667-G669 VanDerWaalsContact C-N 3.29Å
668	R	95.6	Very high	91.5	Very high	52 Å²	52	39 Å²	39	20%	0.196	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-2	174.7	-70.8	177.6	176	-162.4	-4.2	113.7	Y539 Q541 T567 L664 A665 V666 Y670	Y539-R668 VanDerWaalsContact O-CZ 3.31Å; Y539-R668 PolarHBondContact O-NE 3.47Å; Y539-R668 PolarHBondContact O-NH2 2.89Å; Q541-R668 PolarHBondContact O-NH2 3.18Å; T567-R668 PolarHBondContact O-NH1 2.66Å; L664-R668 WeakPolarHBondContact O-CB 3.42Å; L664-R668 VanDerWaalsContact O-CG 3.26Å; L664-R668 WeakPolarHBondContact O-CG 3.33Å; L664-R668 PolarHBondContact O-N 3.14Å; L664-R668 VanDerWaalsContact O-N 3.08Å; A665-R668 CarbonylContact O-C 3.53Å; A665-R668 PolarHBondContact O-N 3.33Å; V666-R668 PolarHBondContact O-N 2.85Å; R668-Y670 VanDerWaalsContact C-N 3.32Å; R668-Y670 HydrophobicContact CB-CD1 4.47Å; R668-Y670 HydrophobicContact CB-CD2 3.63Å; R668-Y670 HydrophobicContact CB-CE1 4.37Å; R668-Y670 HydrophobicContact CB-CE2 3.51Å; R668-Y670 HydrophobicContact CB-CG 4.11Å; R668-Y670 HydrophobicContact CG-CE2 4.17Å
669	G	93.6	Very high	90.1	Very high	69 Å²	69	39.9 Å²	39.9	71%	0.711	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.5	26.1	-178.1	0	0	0	0	0	113.6	A665 V666 L667	A665-G669 PolarHBondContact O-N 3.32Å; A665-G669 VanDerWaalsContact O-N 3.16Å; V666-G669 PolarHBondContact O-N 3.38Å; L667-G669 VanDerWaalsContact C-N 3.29Å
670	Y	93.4	Very high	88.9	Confident	93 Å²	93	41.4 Å²	41.4	37%	0.365	22%	0.22	S	C	.	.			trans	-93.4	150.2	178.2	-58.2	-29.2	0	0	0	111.9	T567 Y568 A665 R668 V672	T567-Y670 VanDerWaalsContact O-CE2 3.3Å; T567-Y670 WeakPolarHBondContact O-CE2 3.38Å; Y568-Y670 AromaticContact CD2-CD2 3.62Å; Y568-Y670 HydrophobicContact CD2-CD2 3.62Å; Y568-Y670 HydrophobicContact CD2-CE1 4.42Å; Y568-Y670 AromaticContact CD2-CE2 3.35Å; Y568-Y670 HydrophobicContact CD2-CE2 3.35Å; Y568-Y670 HydrophobicContact CD2-CG 4.27Å; Y568-Y670 AromaticContact CD2-CZ 3.81Å; Y568-Y670 HydrophobicContact CE2-CD1 4.17Å; Y568-Y670 AromaticContact CE2-CD2 3.56Å; Y568-Y670 HydrophobicContact CE2-CD2 3.56Å; Y568-Y670 HydrophobicContact CE2-CE1 4.35Å; Y568-Y670 AromaticContact CE2-CE2 3.76Å; Y568-Y670 HydrophobicContact CE2-CE2 3.76Å; Y568-Y670 AromaticContact CE2-CG 3.79Å; Y568-Y670 HydrophobicContact CE2-CG 3.79Å; Y568-Y670 HydrophobicContact CG-CE2 4.39Å; A665-Y670 PolarHBondContact O-N 3.35Å; R668-Y670 VanDerWaalsContact C-N 3.32Å; R668-Y670 HydrophobicContact CB-CD1 4.47Å; R668-Y670 HydrophobicContact CB-CD2 3.63Å; R668-Y670 HydrophobicContact CB-CE1 4.37Å; R668-Y670 HydrophobicContact CB-CE2 3.51Å; R668-Y670 HydrophobicContact CB-CG 4.11Å; R668-Y670 HydrophobicContact CG-CE2 4.17Å; Y670-V672 PolarHBondContact O-N 3.47Å
671	D	89.8	Confident	87.6	Confident	62 Å²	62	41.9 Å²	41.9	33%	0.332	22%	0.224	S	C	.	.			trans	-81.6	110.5	174.3	-173.3	-11.1	0	0	0	110	K65 D673 C674	K65-D671 IonicContact NZ-OD2 3.08Å; K65-D671 PolarHBondContact NZ-OD2 3.23Å; D671-D673 VanDerWaalsContact C-N 3.31Å; D671-D673 PolarHBondContact O-N 2.83Å; D671-D673 PolarHBondContact OD1-N 2.93Å; D671-C674 CarbonylContact O-C 3.49Å; D671-C674 PolarHBondContact O-N 3.36Å; D671-C674 PolarHBondContact OD1-N 2.82Å
672	V	90.6	Very high	86.6	Confident	7 Å²	7	46.2 Å²	46.2	4%	0.042	25%	0.25	C	C	.	.	S	Bend	trans	-70.9	-25	-178.7	-64	0	0	0	0	113.4	S326 M328 F662 A665 V666 Y670	S326-V672 WeakPolarHBondContact OG-CG2 3.37Å; M328-V672 HydrophobicContact CB-CB 4.44Å; M328-V672 HydrophobicContact CB-CG2 4.31Å; M328-V672 HydrophobicContact SD-CB 4.26Å; F662-V672 HydrophobicContact CD2-CB 4.34Å; F662-V672 HydrophobicContact CD2-CG1 3.95Å; F662-V672 HydrophobicContact CD2-CG2 4.11Å; F662-V672 HydrophobicContact CE2-CG1 4.37Å; F662-V672 HydrophobicContact CE2-CG2 4.03Å; A665-V672 HydrophobicContact CB-CG1 3.52Å; V666-V672 HydrophobicContact CG2-CG1 4.35Å; Y670-V672 PolarHBondContact O-N 3.47Å
673	D	87.3	Confident	85.3	Confident	11 Å²	11	47.3 Å²	47.3	6%	0.059	26%	0.257	C	S	.	.	S	Bend	trans	-84.6	-21.5	-179.5	-70.1	-25.3	0	0	0	111.3	K321 S326 F327 M328 V475 D671	K321-D673 VanDerWaalsContact CE-OD2 3.23Å; K321-D673 WeakPolarHBondContact CE-OD2 3.48Å; K321-D673 IonicContact NZ-OD2 2.62Å; K321-D673 PolarHBondContact NZ-OD2 3.25Å; S326-D673 WeakPolarHBondContact CA-OD2 3.43Å; S326-D673 WeakPolarHBondContact CB-OD1 3.22Å; S326-D673 WeakPolarHBondContact CB-OD2 3.49Å; F327-D673 WeakPolarHBondContact CA-OD1 3.33Å; F327-D673 WeakPolarHBondContact CB-OD1 3.44Å; F327-D673 VanDerWaalsContact N-CG 3.32Å; F327-D673 PolarHBondContact N-OD1 3.43Å; F327-D673 PolarHBondContact N-OD2 2.88Å; M328-D673 PolarHBondContact N-OD1 2.83Å; V475-D673 WeakPolarHBondContact CG2-O 3.49Å; D671-D673 VanDerWaalsContact C-N 3.31Å; D671-D673 PolarHBondContact O-N 2.83Å; D671-D673 PolarHBondContact OD1-N 2.93Å
674	C	82.6	Confident	83.7	Confident	17 Å²	17	48.4 Å²	48.4	12%	0.115	27%	0.265	C	S	.	.	S	Bend	trans	-134.3	67.2	-176.8	-64.7	0	0	0	0	112.3	Y35 D671 R676	Y35-C674 HydrophobicContact CD1-CB 4.37Å; Y35-C674 HydrophobicContact CE1-CB 4.09Å; Y35-C674 HydrophobicContact CE2-CB 4.46Å; D671-C674 CarbonylContact O-C 3.49Å; D671-C674 PolarHBondContact O-N 3.36Å; D671-C674 PolarHBondContact OD1-N 2.82Å; C674-R676 PolarHBondContact O-N 3.08Å
675	P	82.8	Confident	81.6	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.006	31%	0.308	C	S	.	.			trans	-65.8	130.4	179	27.4	-33.9	0	0	0	111.7	Y35 V475 E565 I566 Y568 L678	Y35-P675 PolarHBondContact OH-O 3.06Å; V475-P675 HydrophobicContact CB-CG 3.83Å; V475-P675 HydrophobicContact CG1-CG 3.51Å; E565-P675 VanDerWaalsContact O-CB 3.32Å; E565-P675 WeakPolarHBondContact O-CB 3.44Å; I566-P675 HydrophobicContact CG2-CB 4.49Å; Y568-P675 WeakPolarHBondContact OH-CA 3.49Å; P675-L678 HydrophobicContact CG-CB 4.26Å; P675-L678 HydrophobicContact CG-CD1 4.45Å; P675-L678 PolarHBondContact O-N 2.97Å
676	R	78.6	Confident	80.8	Confident	141 Å²	141	60.5 Å²	60.5	53%	0.532	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	141.7	-174.7	75.5	-164.9	172.6	159.6	0.3	112.3	Y568 C674 L678	Y568-R676 HydrophobicContact CD1-CG 4.39Å; Y568-R676 HydrophobicContact CE1-CG 3.61Å; Y568-R676 HydrophobicContact CE2-CG 4.19Å; Y568-R676 PolarHBondContact OH-N 3.41Å; C674-R676 PolarHBondContact O-N 3.08Å; R676-L678 PolarHBondContact O-N 3.33Å; R676-L678 VanDerWaalsContact O-N 3.11Å
677	N	76.4	Confident	80	Confident	134 Å²	134	59.7 Å²	59.7	72%	0.717	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	8.9	177.3	-48	-26.6	0	0	0	115.4	W96	W96-N677 WeakPolarHBondContact CZ2-O 3.45Å
678	L	75.4	Confident	79.1	Confident	66 Å²	66	59 Å²	59	35%	0.346	31%	0.312	S	S	.	.			trans	-120	139.9	170.8	-61.5	173.1	0	0	0	113.3	Y35 W96 V475 E565 P675 R676	Y35-L678 PolarHBondContact OH-O 3.29Å; W96-L678 VanDerWaalsContact CH2-CA 3.4Å; W96-L678 WeakPolarHBondContact CH2-O 3.46Å; W96-L678 WeakPolarHBondContact CZ3-O 3.49Å; V475-L678 HydrophobicContact CG1-CB 4.17Å; E565-L678 HydrophobicContact CB-CD1 4.01Å; E565-L678 HydrophobicContact CG-CD1 3.84Å; P675-L678 HydrophobicContact CG-CB 4.26Å; P675-L678 HydrophobicContact CG-CD1 4.45Å; P675-L678 PolarHBondContact O-N 2.97Å; R676-L678 PolarHBondContact O-N 3.33Å; R676-L678 VanDerWaalsContact O-N 3.11Å
679	A	68.2	Low	78.1	Confident	17 Å²	17	59.4 Å²	59.4	14%	0.14	32%	0.319	C	S	.	.			trans	-107.9	156.1	164.5	0	0	0	0	0	109.2	M1 R33 W96 S681	M1-A679 VanDerWaalsContact N-CB 3.3Å; R33-A679 WeakPolarHBondContact O-CB 3.41Å; W96-A679 HydrophobicContact CD2-CB 3.8Å; W96-A679 HydrophobicContact CE3-CB 3.52Å; W96-A679 HydrophobicContact CH2-CB 4.21Å; W96-A679 VanDerWaalsContact CH2-N 3.31Å; W96-A679 HydrophobicContact CZ2-CB 4.38Å; W96-A679 HydrophobicContact CZ3-CB 3.73Å; A679-S681 PolarHBondContact O-N 3Å; A679-S681 VanDerWaalsContact O-N 3.11Å
680	K	74	Confident	77.1	Confident	33 Å²	33	58.8 Å²	58.8	14%	0.143	30%	0.295	C	S	.	.	S	Bend	trans	-56	-30.6	179.8	-175.7	159.9	-172.8	-89.5	0	115	Y32 E472 G474 V475	Y32-K680 HydrophobicContact CD2-CB 3.98Å; Y32-K680 HydrophobicContact CD2-CD 3.49Å; Y32-K680 VanDerWaalsContact CD2-CD 3.49Å; Y32-K680 HydrophobicContact CD2-CG 4.31Å; Y32-K680 HydrophobicContact CE2-CB 4.47Å; Y32-K680 HydrophobicContact CE2-CD 3.73Å; E472-K680 VanDerWaalsContact C-CE 3.42Å; E472-K680 WeakPolarHBondContact O-CE 3.27Å; E472-K680 PolarHBondContact O-NZ 3.45Å; G474-K680 VanDerWaalsContact O-CD 3.27Å; G474-K680 WeakPolarHBondContact O-CD 3.49Å; G474-K680 WeakPolarHBondContact O-CE 3.49Å; V475-K680 HydrophobicContact CG2-CB 4.26Å
681	S	71	Confident	76	Confident	11 Å²	11	56.5 Å²	56.5	8%	0.077	29%	0.29	C	S	.	.			trans	-146.2	140.5	-179	50.8	0	0	0	0	112.1	M1 A679	M1-S681 WeakPolarHBondContact CB-O 3.27Å; M1-S681 WeakPolarHBondContact CE-OG 3.26Å; M1-S681 PolarHBondContact SD-OG 2.74Å; A679-S681 PolarHBondContact O-N 3Å; A679-S681 VanDerWaalsContact O-N 3.11Å
682	V	76.8	Confident	75	Confident	91 Å²	91	56.1 Å²	56.1	55%	0.552	29%	0.287	S	S	*	.			trans	-99.4	102	178.2	-174.7	0	0	0	0	108.4	T429 A430 V684	T429-V682 VanDerWaalsContact CA-O 3.31Å; T429-V682 WeakPolarHBondContact CA-O 3.4Å; A430-V682 PolarHBondContact N-O 3.22Å; V682-V684 WeakPolarHBondContact CG1-O 3.4Å
683	T	69.6	Low	73.9	Confident	31 Å²	31	59.9 Å²	59.9	19%	0.19	31%	0.306	C	S	.	.			trans	-112.6	2	-175.4	60.3	0	0	0	0	113.9	M1 E428	M1-T683 HydrophobicContact CE-CG2 3.13Å; M1-T683 HydrophobicContact CG-CG2 4.02Å; M1-T683 HydrophobicContact SD-CG2 4.28Å; E428-T683 HydrophobicContact CB-CG2 3.83Å; E428-T683 WeakPolarHBondContact O-CG2 3.46Å
684	V	65.1	Low	72.7	Confident	32 Å²	32	64 Å²	64	19%	0.194	33%	0.327	C	S	.	.			trans	-140.2	146.7	177.8	-65.4	0	0	0	0	106.7	T98 I125 V682	T98-V684 HydrophobicContact CG2-CG2 4.07Å; I125-V684 HydrophobicContact CD1-CB 3.71Å; I125-V684 HydrophobicContact CD1-CG1 4.32Å; I125-V684 HydrophobicContact CD1-CG2 4.07Å; I125-V684 HydrophobicContact CG1-CB 4.02Å; I125-V684 HydrophobicContact CG1-CG1 4.07Å; I125-V684 HydrophobicContact CG1-CG2 4.42Å; V682-V684 WeakPolarHBondContact CG1-O 3.4Å
685	E	52.4	Low	71.8	Confident	194 Å²	194	68.3 Å²	68.3	91%	0.907	35%	0.346	S	S	*	.			trans	-68.2	0	172.5	-72.8	177.5	-179.4	0	0	112.2	I125 L434	I125-E685 WeakPolarHBondContact CD1-O 3.04Å; L434-E685 VanDerWaalsContact CD1-OE1 3.31Å; L434-E685 WeakPolarHBondContact CD1-OE1 3.33Å

Retrieved 685 of 685 residues in 1573.6 ms (Link to these results)

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