A0A077Z6W0_TRITR Loading...

Ras GTP binding protein A

AlphaFold DB , UniProt , Accession A0A077Z6W0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 301 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	55.2	Low	88	Confident	182 Å²	182	58.1 Å²	58.1	90%	0.897	31%	0.306	S	S	*	.				0	125.1	0	-139.9	145.1	168.5	0	0	107
2	G	68.8	Low	88.8	Confident	64 Å²	64	53.3 Å²	53.3	66%	0.66	28%	0.281	S	S	*	.			trans	-68.1	146.6	-180	0	0	0	0	0	110.9	M4	G2-M4 PolarHBondContact O-N 2.94Å
3	M	76.3	Confident	89.5	Confident	95 Å²	95	53.1 Å²	53.1	47%	0.468	28%	0.276	S	S	.	.			trans	-69.6	124.2	176	-70.8	169.1	59.7	0	0	109.7	K5 N53 V55	M3-K5 PolarHBondContact O-N 2.58Å; M3-N53 CarbonylContact C-O 3.59Å; M3-N53 WeakPolarHBondContact CA-O 3.07Å; M3-V55 HydrophobicContact CB-CG2 4.36Å; M3-V55 HydrophobicContact CE-CG2 3.17Å
4	M	86.2	Confident	90.1	Very high	74 Å²	74	53.3 Å²	53.3	37%	0.365	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	115.3	176.8	-75.1	-167.2	-75.4	0	0	109.7	G2 N53 V55 P180 Q301	G2-M4 PolarHBondContact O-N 2.94Å; M4-N53 PolarHBondContact N-O 3.42Å; M4-V55 PolarHBondContact O-N 3.02Å; M4-P180 HydrophobicContact CE-CB 3.92Å; M4-P180 HydrophobicContact CE-CG 3.57Å; M4-Q301 WeakPolarHBondContact CE-O 3.14Å
5	K	92.9	Very high	90.6	Very high	149 Å²	149	53.1 Å²	53.1	65%	0.648	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.6	179.4	-64.5	-178.9	-179.3	-179.6	0	109.6	M3 V55	M3-K5 PolarHBondContact O-N 2.58Å; K5-V55 WeakPolarHBondContact CA-O 3.31Å; K5-V55 HydrophobicContact CG-CB 4.25Å
6	K	96.4	Very high	91.1	Very high	51 Å²	51	49.8 Å²	49.8	22%	0.222	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.2	176	-66.2	-68.2	-173.8	174	0	109.3	L54 V55 N57 E84 L178	K6-L54 HydrophobicContact CB-CD1 4.17Å; K6-L54 HydrophobicContact CG-CD1 3.47Å; K6-L54 VanDerWaalsContact CG-CD1 3.47Å; K6-V55 PolarHBondContact N-O 3.44Å; K6-N57 PolarHBondContact O-N 3.27Å; K6-E84 HydrophobicContact CB-CB 4.44Å; K6-E84 HydrophobicContact CB-CG 4.25Å; K6-E84 HydrophobicContact CD-CB 4.17Å; K6-E84 HydrophobicContact CD-CG 3.51Å; K6-E84 WeakPolarHBondContact CD-OE1 3.28Å; K6-E84 WeakPolarHBondContact CD-OE2 3.26Å; K6-E84 IonicContact NZ-OE1 2.62Å; K6-E84 PolarHBondContact NZ-OE1 3.47Å; K6-E84 IonicContact NZ-OE2 2.77Å; K6-E84 PolarHBondContact NZ-OE2 3.07Å; K6-L178 HydrophobicContact CB-CD2 4.15Å; K6-L178 HydrophobicContact CD-CD2 4.37Å; K6-L178 HydrophobicContact CG-CD2 4.28Å
7	K	97.8	Very high	91.5	Very high	22 Å²	22	47.5 Å²	47.5	10%	0.096	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	123	179.2	-170.2	-175.8	-171.4	-175	0	109.7	W59 Q78 I79 R81 S82 V83 E84 V85	K7-W59 VanDerWaalsContact CE-CE2 3.44Å; K7-W59 HydrophobicContact CG-CG 4.49Å; K7-Q78 PolarHBondContact NZ-O 3.44Å; K7-I79 WeakPolarHBondContact CE-O 3.43Å; K7-I79 PolarHBondContact NZ-O 3.22Å; K7-R81 WeakPolarHBondContact CD-O 3.45Å; K7-R81 PolarHBondContact NZ-O 2.9Å; K7-S82 VanDerWaalsContact CB-O 3.23Å; K7-S82 WeakPolarHBondContact CB-O 3.38Å; K7-V83 HydrophobicContact CD-CG2 4.08Å; K7-E84 PolarHBondContact O-N 2.92Å; K7-V85 PolarHBondContact O-N 2.74Å
8	V	98.4	Very high	91.9	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.012	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	112.8	177.8	-177.7	0	0	0	0	107.7	N57 I58 W59 V85 I87 L178	V8-N57 PolarHBondContact N-O 3.46Å; V8-I58 HydrophobicContact CB-CG1 4.4Å; V8-I58 WeakPolarHBondContact O-CA 3.49Å; V8-W59 PolarHBondContact O-N 2.9Å; V8-V85 WeakPolarHBondContact CA-O 3.44Å; V8-V85 HydrophobicContact CG1-CB 4.28Å; V8-V85 HydrophobicContact CG1-CG1 4.16Å; V8-V85 HydrophobicContact CG2-CB 4.42Å; V8-I87 HydrophobicContact CG1-CD1 3.57Å; V8-I87 HydrophobicContact CG1-CG1 4.03Å; V8-L178 HydrophobicContact CG2-CD1 3.63Å
9	L	98.5	Very high	92.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	130.2	172.6	-67.6	-172.3	0	0	0	109.7	M11 W59 I79 F80 V83 V85 L86 I87	L9-M11 HydrophobicContact CB-CG 4.36Å; L9-M11 HydrophobicContact CD1-SD 4.3Å; L9-W59 HydrophobicContact CD2-CB 3.7Å; L9-W59 HydrophobicContact CD2-CD2 4.37Å; L9-W59 HydrophobicContact CD2-CE3 4.47Å; L9-W59 HydrophobicContact CD2-CG 4.05Å; L9-I79 HydrophobicContact CD1-CG2 4.06Å; L9-I79 HydrophobicContact CD2-CG2 4.28Å; L9-F80 HydrophobicContact CD1-CD1 3.96Å; L9-F80 HydrophobicContact CD1-CE1 4.11Å; L9-V83 HydrophobicContact CB-CG1 4.38Å; L9-V83 HydrophobicContact CD1-CB 4.39Å; L9-V83 HydrophobicContact CD1-CG1 4Å; L9-V83 HydrophobicContact CD1-CG2 3.46Å; L9-V83 VanDerWaalsContact CD1-CG2 3.46Å; L9-V83 HydrophobicContact CD2-CG2 4.41Å; L9-V83 HydrophobicContact CG-CB 4.45Å; L9-V83 HydrophobicContact CG-CG1 3.84Å; L9-V83 HydrophobicContact CG-CG2 3.71Å; L9-V85 PolarHBondContact N-O 3.26Å; L9-L86 HydrophobicContact CB-CD1 3.88Å; L9-I87 PolarHBondContact O-N 2.81Å
10	L	98.7	Very high	92.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	103.8	173	-179.2	64.3	0	0	0	108.3	K18 R22 I58 W59 D60 C61 I87 V89	L10-K18 HydrophobicContact CD1-CB 4.43Å; L10-K18 HydrophobicContact CD1-CG 4.33Å; L10-K18 HydrophobicContact CD2-CB 3.86Å; L10-K18 HydrophobicContact CG-CB 3.87Å; L10-K18 HydrophobicContact CG-CD 4.3Å; L10-K18 HydrophobicContact CG-CG 4.07Å; L10-R22 HydrophobicContact CD2-CB 4.26Å; L10-I58 HydrophobicContact CB-CG2 4.48Å; L10-W59 PolarHBondContact N-O 3.45Å; L10-D60 HydrophobicContact CD2-CB 4.48Å; L10-C61 PolarHBondContact O-N 3.09Å; L10-I87 WeakPolarHBondContact CA-O 3.4Å; L10-I87 HydrophobicContact CD1-CB 3.86Å; L10-I87 HydrophobicContact CD1-CD1 4.44Å; L10-I87 HydrophobicContact CD1-CG2 3.79Å; L10-V89 HydrophobicContact CD1-CG2 3.71Å
11	M	98.7	Very high	92.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	165.9	-171.6	-61.5	-167.7	79.8	0	0	112.1	L9 K18 C61 M68 Y71 F80 L86 I87 Y88 V89 C107	L9-M11 HydrophobicContact CB-CG 4.36Å; L9-M11 HydrophobicContact CD1-SD 4.3Å; M11-K18 WeakPolarHBondContact O-CD 3.41Å; M11-C61 HydrophobicContact CE-CB 4.49Å; M11-C61 HydrophobicContact CG-CB 4.07Å; M11-M68 HydrophobicContact CE-CE 4.36Å; M11-M68 HydrophobicContact CE-SD 4.13Å; M11-Y71 HydrophobicContact CE-CD2 3.89Å; M11-Y71 HydrophobicContact CE-CG 4.49Å; M11-F80 HydrophobicContact CE-CZ 4Å; M11-F80 HydrophobicContact SD-CE1 3.91Å; M11-F80 HydrophobicContact SD-CZ 3.82Å; M11-L86 HydrophobicContact CB-CD1 4.18Å; M11-L86 HydrophobicContact CG-CD1 4.06Å; M11-L86 HydrophobicContact SD-CD1 4.12Å; M11-I87 PolarHBondContact N-O 3.26Å; M11-Y88 HydrophobicContact CB-CD2 3.97Å; M11-Y88 HydrophobicContact CB-CE2 4.22Å; M11-Y88 CarbonylContact O-C 3.45Å; M11-Y88 WeakPolarHBondContact O-CA 3.28Å; M11-V89 PolarHBondContact O-N 3.21Å; M11-C107 VanDerWaalsContact CE-SG 3.57Å
12	G	98.3	Very high	94.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.197	C	C	.	.			trans	138.1	163.3	-176.2	0	0	0	0	0	111.3	K18 G63	G12-K18 WeakPolarHBondContact O-CE 3.31Å; G12-K18 PolarHBondContact O-NZ 2.97Å; G12-G63 WeakPolarHBondContact O-CA 3.29Å
13	K	97.6	Very high	96.2	Very high	51 Å²	51	30.9 Å²	30.9	22%	0.222	17%	0.168	C	C	.	.	S	Bend	trans	-56.6	154.6	-175.6	-175.7	168.6	173.3	-179.2	0	113.7	G15 S16 K18 G63 E96 D100	K13-G15 PolarHBondContact O-N 3.41Å; K13-S16 VanDerWaalsContact O-CB 3.31Å; K13-S16 WeakPolarHBondContact O-CB 3.45Å; K13-S16 PolarHBondContact O-N 3.47Å; K13-S16 PolarHBondContact O-OG 2.78Å; K13-K18 PolarHBondContact O-NZ 2.89Å; K13-G63 CarbonylContact C-O 3.14Å; K13-E96 IonicContact NZ-OE2 3.16Å; K13-E96 PolarHBondContact NZ-OE2 3.4Å; K13-D100 WeakPolarHBondContact CD-OD1 2.97Å; K13-D100 IonicContact NZ-OD1 2.62Å
14	S	97.7	Very high	97.2	Very high	56 Å²	56	26.7 Å²	26.7	39%	0.392	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	138.2	172.9	-168.9	0	0	0	0	110.5	S16 G63	S14-S16 VanDerWaalsContact C-N 3.27Å; S14-S16 PolarHBondContact O-N 3.37Å; S14-G63 VanDerWaalsContact N-C 3.33Å; S14-G63 PolarHBondContact N-O 2.81Å
15	G	97.4	Very high	97.8	Very high	50 Å²	50	23.1 Å²	23.1	52%	0.515	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	79	-4.3	-178.8	0	0	0	0	0	115.9	K13 G17 K126	K13-G15 PolarHBondContact O-N 3.41Å; G15-G17 PolarHBondContact O-N 3.43Å; G15-G17 VanDerWaalsContact O-N 3.13Å; G15-K126 WeakPolarHBondContact O-CE 3.31Å; G15-K126 PolarHBondContact O-NZ 3.12Å
16	S	98.1	Very high	97.9	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.007	11%	0.106	C	C	.	.	S	Bend	trans	-68.6	-8.9	-179.5	70.7	0	0	0	0	115.2	K13 S14 V89 H125	K13-S16 VanDerWaalsContact O-CB 3.31Å; K13-S16 WeakPolarHBondContact O-CB 3.45Å; K13-S16 PolarHBondContact O-N 3.47Å; K13-S16 PolarHBondContact O-OG 2.78Å; S14-S16 VanDerWaalsContact C-N 3.27Å; S14-S16 PolarHBondContact O-N 3.37Å; S16-V89 WeakPolarHBondContact O-CG1 3.5Å; S16-V89 PolarHBondContact OG-O 3.49Å; S16-H125 PolarHBondContact O-CD2 2.89Å
17	G	98	Very high	97.9	Very high	11 Å²	11	17.7 Å²	17.7	11%	0.113	12%	0.115	C	C	.	.	S	Bend	trans	101	8.6	173.6	0	0	0	0	0	116.5	G15 T19 S20 M21	G15-G17 PolarHBondContact O-N 3.43Å; G15-G17 VanDerWaalsContact O-N 3.13Å; G17-T19 PolarHBondContact O-N 3.31Å; G17-S20 WeakPolarHBondContact O-CB 3.23Å; G17-S20 PolarHBondContact O-N 2.89Å; G17-M21 WeakPolarHBondContact O-CG 3.43Å; G17-M21 PolarHBondContact O-N 3.38Å
18	K	98.6	Very high	97.8	Very high	9 Å²	9	20.6 Å²	20.6	4%	0.039	13%	0.132	C	C	.	.	H	α-helix	trans	-47.2	-61.1	178.9	-64.1	-178	-55.8	-67.8	0	114.1	L10 M11 G12 K13 S20 M21 R22 C61 V89	L10-K18 HydrophobicContact CD1-CB 4.43Å; L10-K18 HydrophobicContact CD1-CG 4.33Å; L10-K18 HydrophobicContact CD2-CB 3.86Å; L10-K18 HydrophobicContact CG-CB 3.87Å; L10-K18 HydrophobicContact CG-CD 4.3Å; L10-K18 HydrophobicContact CG-CG 4.07Å; M11-K18 WeakPolarHBondContact O-CD 3.41Å; G12-K18 WeakPolarHBondContact O-CE 3.31Å; G12-K18 PolarHBondContact O-NZ 2.97Å; K13-K18 PolarHBondContact O-NZ 2.89Å; K18-S20 VanDerWaalsContact C-N 3.28Å; K18-S20 PolarHBondContact O-N 3.28Å; K18-M21 WeakPolarHBondContact O-CB 3.46Å; K18-M21 PolarHBondContact O-N 3.34Å; K18-R22 PolarHBondContact O-N 3.49Å; K18-C61 WeakPolarHBondContact CE-O 3.44Å; K18-V89 HydrophobicContact CG-CB 3.96Å; K18-V89 HydrophobicContact CG-CG2 3.8Å
19	T	98.5	Very high	97.7	Very high	16 Å²	16	23.7 Å²	23.7	10%	0.098	15%	0.145	C	C	.	.	H	α-helix	trans	-64.4	-33.2	-178.5	-49.7	0	0	0	0	112.2	G17 R22 S23 L37 T40 D60	G17-T19 PolarHBondContact O-N 3.31Å; T19-R22 PolarHBondContact O-N 3.4Å; T19-S23 VanDerWaalsContact O-CB 3.23Å; T19-S23 WeakPolarHBondContact O-CB 3.14Å; T19-S23 PolarHBondContact O-N 3.47Å; T19-S23 PolarHBondContact O-OG 3.24Å; T19-L37 HydrophobicContact CG2-CD1 4.11Å; T19-L37 HydrophobicContact CG2-CD2 4.34Å; T19-T40 PolarHBondContact OG1-OG1 3.49Å; T19-D60 VanDerWaalsContact CA-OD2 3.27Å; T19-D60 WeakPolarHBondContact CA-OD2 3.33Å; T19-D60 WeakPolarHBondContact CB-OD2 3.32Å; T19-D60 PolarHBondContact OG1-OD1 3.01Å; T19-D60 PolarHBondContact OG1-OD2 2.77Å
20	S	98.6	Very high	97.5	Very high	22 Å²	22	25.6 Å²	25.6	15%	0.154	16%	0.155	C	C	.	.	H	α-helix	trans	-61	-48.4	173.8	-54.7	0	0	0	0	111.1	G17 K18 S23 I24	G17-S20 WeakPolarHBondContact O-CB 3.23Å; G17-S20 PolarHBondContact O-N 2.89Å; K18-S20 VanDerWaalsContact C-N 3.28Å; K18-S20 PolarHBondContact O-N 3.28Å; S20-S23 PolarHBondContact O-N 3.14Å; S20-I24 WeakPolarHBondContact O-CG1 3.41Å; S20-I24 PolarHBondContact O-N 2.94Å
21	M	98.5	Very high	97.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.1	-49.6	177.3	-69.5	-167.8	-72.9	0	0	112.2	G17 K18 S23 I24 I25 V89 L123 H125 I162 L167	G17-M21 WeakPolarHBondContact O-CG 3.43Å; G17-M21 PolarHBondContact O-N 3.38Å; K18-M21 WeakPolarHBondContact O-CB 3.46Å; K18-M21 PolarHBondContact O-N 3.34Å; M21-S23 VanDerWaalsContact C-N 3.28Å; M21-S23 PolarHBondContact O-N 3.36Å; M21-I24 PolarHBondContact O-N 3.36Å; M21-I25 WeakPolarHBondContact O-CG1 3.41Å; M21-I25 PolarHBondContact O-N 3.32Å; M21-I25 VanDerWaalsContact O-N 3.13Å; M21-V89 HydrophobicContact CE-CB 4.06Å; M21-V89 HydrophobicContact CE-CG1 3.5Å; M21-V89 VanDerWaalsContact CE-CG1 3.5Å; M21-V89 HydrophobicContact CE-CG2 3.34Å; M21-L123 HydrophobicContact CE-CD1 3.93Å; M21-L123 HydrophobicContact SD-CD1 3.76Å; M21-H125 VanDerWaalsContact SD-CE1 3.53Å; M21-I162 HydrophobicContact CG-CG2 4.43Å; M21-L167 HydrophobicContact CB-CD1 3.91Å; M21-L167 HydrophobicContact CG-CD1 3.46Å; M21-L167 VanDerWaalsContact CG-CD1 3.46Å; M21-L167 HydrophobicContact CG-CD2 4.45Å; M21-L167 HydrophobicContact SD-CD1 3.45Å; M21-L167 WeakPolarHBondContact SD-CD1 3.28Å
22	R	97.8	Very high	97.3	Very high	32 Å²	32	34.8 Å²	34.8	12%	0.121	19%	0.193	C	C	.	.	H	α-helix	trans	-56.4	-44.4	177	-179.9	-179.9	61.6	99.4	-10.4	111.2	L10 K18 T19 F26 E44 D60	L10-R22 HydrophobicContact CD2-CB 4.26Å; K18-R22 PolarHBondContact O-N 3.49Å; T19-R22 PolarHBondContact O-N 3.4Å; R22-F26 HydrophobicContact CG-CD2 4.16Å; R22-F26 WeakPolarHBondContact O-CB 3.22Å; R22-F26 PolarHBondContact O-N 3.29Å; R22-E44 IonicContact CZ-OE2 3.49Å; R22-E44 IonicContact NH2-OE2 3.43Å; R22-E44 PolarHBondContact NH2-OE2 3.4Å; R22-D60 IonicContact CZ-OD2 2.62Å; R22-D60 IonicContact NE-OD2 2.74Å; R22-D60 PolarHBondContact NE-OD2 2.73Å; R22-D60 IonicContact NH2-OD2 3.94Å; R22-D60 PolarHBondContact NH2-OD2 3.38Å; R22-D60 VanDerWaalsContact NH2-OD2 3.16Å
23	S	97.8	Very high	97.1	Very high	7 Å²	7	37.1 Å²	37.1	5%	0.049	21%	0.205	C	C	.	.	H	α-helix	trans	-67.2	-38.7	-177.1	-59.3	0	0	0	0	112.7	T19 S20 M21 A27 N28 F29	T19-S23 VanDerWaalsContact O-CB 3.23Å; T19-S23 WeakPolarHBondContact O-CB 3.14Å; T19-S23 PolarHBondContact O-N 3.47Å; T19-S23 PolarHBondContact O-OG 3.24Å; S20-S23 PolarHBondContact O-N 3.14Å; M21-S23 VanDerWaalsContact C-N 3.28Å; M21-S23 PolarHBondContact O-N 3.36Å; S23-A27 CarbonylContact O-C 3.41Å; S23-A27 WeakPolarHBondContact O-CA 3.41Å; S23-A27 VanDerWaalsContact O-CB 3.29Å; S23-A27 WeakPolarHBondContact O-CB 3.29Å; S23-A27 PolarHBondContact O-N 3.06Å; S23-N28 PolarHBondContact O-N 3.47Å; S23-N28 VanDerWaalsContact O-N 3.15Å; S23-F29 PolarHBondContact O-N 2.87Å; S23-F29 VanDerWaalsContact O-N 3.12Å
24	I	97.5	Very high	97.1	Very high	7 Å²	7	35.3 Å²	35.3	4%	0.036	20%	0.199	C	C	.	.	H	α-helix	trans	-66.7	-49.1	177.8	-70.5	167.1	0	0	0	110.8	S20 M21 F29 T34 I162 L167	S20-I24 WeakPolarHBondContact O-CG1 3.41Å; S20-I24 PolarHBondContact O-N 2.94Å; M21-I24 PolarHBondContact O-N 3.36Å; I24-F29 WeakPolarHBondContact CA-O 2.99Å; I24-F29 HydrophobicContact CG1-CB 4.28Å; I24-T34 HydrophobicContact CD1-CG2 3.89Å; I24-T34 HydrophobicContact CG1-CG2 3.87Å; I24-I162 HydrophobicContact CD1-CB 3.51Å; I24-I162 HydrophobicContact CD1-CG2 3.55Å; I24-L167 HydrophobicContact CB-CD2 4.23Å; I24-L167 HydrophobicContact CD1-CD2 4.29Å; I24-L167 HydrophobicContact CG2-CD2 3.98Å
25	I	97.5	Very high	97	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-72	-48.5	-174.5	-61.9	-64.4	0	0	0	111.2	M21 L167 Y168 W171 T208 L210	M21-I25 WeakPolarHBondContact O-CG1 3.41Å; M21-I25 PolarHBondContact O-N 3.32Å; M21-I25 VanDerWaalsContact O-N 3.13Å; I25-L167 HydrophobicContact CD1-CD2 4.15Å; I25-L167 HydrophobicContact CD1-CG 4.1Å; I25-L167 HydrophobicContact CG1-CD2 4.19Å; I25-L167 HydrophobicContact CG1-CG 4.28Å; I25-Y168 HydrophobicContact CD1-CD1 4.01Å; I25-Y168 HydrophobicContact CD1-CE1 3.87Å; I25-Y168 HydrophobicContact CD1-CG 4.4Å; I25-W171 HydrophobicContact CD1-CB 4.41Å; I25-W171 HydrophobicContact CD1-CG 4.36Å; I25-W171 HydrophobicContact CG1-CB 4.42Å; I25-W171 HydrophobicContact CG1-CD2 4.42Å; I25-W171 HydrophobicContact CG1-CG 3.91Å; I25-W171 HydrophobicContact CG2-CG 4.45Å; I25-T208 HydrophobicContact CG2-CG2 4.2Å; I25-L210 HydrophobicContact CD1-CD2 4.35Å; I25-L210 HydrophobicContact CG2-CD1 3.97Å; I25-L210 HydrophobicContact CG2-CD2 4.46Å; I25-L210 HydrophobicContact CG2-CG 4.34Å
26	F	96.5	Very high	96.9	Very high	36 Å²	36	49.1 Å²	49.1	16%	0.158	23%	0.226	C	C	.	.	H	α-helix	trans	-106.9	-14	-168.2	-56.2	-68.9	0	0	0	114.7	R22 V48 L56 I58 W171 T208	R22-F26 HydrophobicContact CG-CD2 4.16Å; R22-F26 WeakPolarHBondContact O-CB 3.22Å; R22-F26 PolarHBondContact O-N 3.29Å; F26-V48 HydrophobicContact CB-CG2 3.96Å; F26-V48 HydrophobicContact CD1-CB 4.26Å; F26-V48 HydrophobicContact CD1-CG1 3.63Å; F26-V48 HydrophobicContact CD1-CG2 3.88Å; F26-V48 HydrophobicContact CE1-CG1 4.09Å; F26-V48 HydrophobicContact CG-CG1 4.46Å; F26-V48 HydrophobicContact CG-CG2 3.91Å; F26-L56 HydrophobicContact CE1-CD1 4.24Å; F26-L56 HydrophobicContact CZ-CD1 4.36Å; F26-I58 HydrophobicContact CD2-CD1 3.57Å; F26-I58 HydrophobicContact CE1-CD1 4.47Å; F26-I58 HydrophobicContact CE2-CD1 3.4Å; F26-I58 VanDerWaalsContact CE2-CD1 3.4Å; F26-I58 HydrophobicContact CG-CD1 4.2Å; F26-I58 HydrophobicContact CZ-CD1 3.89Å; F26-W171 HydrophobicContact CE2-CD2 4.24Å; F26-W171 AromaticContact CE2-CE3 3.72Å; F26-W171 HydrophobicContact CE2-CE3 3.72Å; F26-W171 AromaticContact CE2-CH2 3.76Å; F26-W171 HydrophobicContact CE2-CH2 3.76Å; F26-W171 HydrophobicContact CE2-CZ2 4.28Å; F26-W171 AromaticContact CE2-CZ3 3.47Å; F26-W171 HydrophobicContact CE2-CZ3 3.47Å; F26-W171 VanDerWaalsContact CE2-CZ3 3.47Å; F26-W171 HydrophobicContact CZ-CD2 4.46Å; F26-W171 AromaticContact CZ-CE3 3.7Å; F26-W171 HydrophobicContact CZ-CE3 3.7Å; F26-W171 HydrophobicContact CZ-CH2 4.46Å; F26-W171 AromaticContact CZ-CZ3 3.72Å; F26-W171 HydrophobicContact CZ-CZ3 3.72Å; F26-T208 HydrophobicContact CD1-CG2 3.55Å; F26-T208 HydrophobicContact CE1-CG2 3.76Å
27	A	95.4	Very high	96.8	Very high	50 Å²	50	51.7 Å²	51.7	41%	0.413	24%	0.24	S	C	.	.	H	α-helix	trans	-121.9	12.4	-177	0	0	0	0	0	114.4	S23 F29	S23-A27 CarbonylContact O-C 3.41Å; S23-A27 WeakPolarHBondContact O-CA 3.41Å; S23-A27 VanDerWaalsContact O-CB 3.29Å; S23-A27 WeakPolarHBondContact O-CB 3.29Å; S23-A27 PolarHBondContact O-N 3.06Å; A27-F29 HydrophobicContact CB-CD2 4.13Å; A27-F29 HydrophobicContact CB-CE2 4.39Å; A27-F29 PolarHBondContact O-N 2.96Å
28	N	95.4	Very high	96.7	Very high	83 Å²	83	53.8 Å²	53.8	44%	0.444	26%	0.261	S	S	.	.			trans	62.8	20.4	175.1	-63.8	-43.8	0	0	0	115	S23 K234 L238	S23-N28 PolarHBondContact O-N 3.47Å; S23-N28 VanDerWaalsContact O-N 3.15Å; N28-K234 WeakPolarHBondContact OD1-CE 3.34Å; N28-K234 PolarHBondContact OD1-NZ 3.23Å; N28-L238 HydrophobicContact CB-CD2 3.52Å
29	F	96.1	Very high	96.6	Very high	67 Å²	67	57.8 Å²	57.8	29%	0.294	29%	0.288	S	S	.	.			trans	-68.3	144.5	173	-83.5	-132.4	0	0	0	109.9	S23 I24 A27 D33 T34 L37	S23-F29 PolarHBondContact O-N 2.87Å; S23-F29 VanDerWaalsContact O-N 3.12Å; I24-F29 WeakPolarHBondContact CA-O 2.99Å; I24-F29 HydrophobicContact CG1-CB 4.28Å; A27-F29 HydrophobicContact CB-CD2 4.13Å; A27-F29 HydrophobicContact CB-CE2 4.39Å; A27-F29 PolarHBondContact O-N 2.96Å; F29-D33 HydrophobicContact CD1-CB 3.77Å; F29-D33 HydrophobicContact CE1-CB 4.34Å; F29-D33 HydrophobicContact CG-CB 4.39Å; F29-T34 HydrophobicContact CB-CG2 4.44Å; F29-T34 HydrophobicContact CD1-CG2 4.43Å; F29-L37 HydrophobicContact CE1-CD2 3.88Å; F29-L37 HydrophobicContact CE1-CG 4.39Å; F29-L37 HydrophobicContact CZ-CD2 4.4Å
30	I	95.3	Very high	96.5	Very high	39 Å²	39	57.5 Å²	57.5	20%	0.2	29%	0.287	C	S	.	.			trans	-87.8	156.1	160.8	58.7	165.3	0	0	0	109.4	R32 D33 L238	I30-R32 HydrophobicContact CD1-CB 4.28Å; I30-R32 PolarHBondContact O-N 2.63Å; I30-D33 HydrophobicContact CG1-CB 4.2Å; I30-D33 VanDerWaalsContact CG1-CG 3.48Å; I30-D33 WeakPolarHBondContact CG1-OD2 3.29Å; I30-D33 WeakPolarHBondContact O-CB 3.47Å; I30-D33 PolarHBondContact O-N 2.85Å; I30-L238 HydrophobicContact CG2-CD1 3.96Å
31	A	96.4	Very high	96.4	Very high	14 Å²	14	62.7 Å²	62.7	12%	0.116	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-48.5	-42.4	-177.7	0	0	0	0	0	113.1	D33 T34 I162 W163	A31-D33 VanDerWaalsContact C-N 3.3Å; A31-D33 PolarHBondContact O-N 2.87Å; A31-T34 WeakPolarHBondContact O-CB 3.13Å; A31-T34 PolarHBondContact O-N 2.84Å; A31-T34 PolarHBondContact O-OG1 3.45Å; A31-I162 HydrophobicContact CB-CB 4.36Å; A31-I162 HydrophobicContact CB-CD1 4.07Å; A31-I162 HydrophobicContact CB-CG1 4.16Å; A31-I162 WeakPolarHBondContact CB-O 3.45Å; A31-W163 HydrophobicContact CB-CD2 4.14Å; A31-W163 HydrophobicContact CB-CE3 3.75Å; A31-W163 HydrophobicContact CB-CH2 4.22Å; A31-W163 HydrophobicContact CB-CZ3 3.8Å
32	R	96	Very high	96.2	Very high	180 Å²	180	65.3 Å²	65.3	68%	0.679	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-63.5	-31.9	-179.5	-159.9	178.6	-176	-172.1	1.5	113.8	I30 T34	I30-R32 HydrophobicContact CD1-CB 4.28Å; I30-R32 PolarHBondContact O-N 2.63Å; R32-T34 VanDerWaalsContact C-N 3.28Å; R32-T34 PolarHBondContact O-N 2.9Å
33	D	95.2	Very high	96.2	Very high	49 Å²	49	64.8 Å²	64.8	26%	0.262	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-73.2	-24.6	-178.1	-67.7	-19	0	0	0	111.8	F29 I30 A31 R35 R36	F29-D33 HydrophobicContact CD1-CB 3.77Å; F29-D33 HydrophobicContact CE1-CB 4.34Å; F29-D33 HydrophobicContact CG-CB 4.39Å; I30-D33 HydrophobicContact CG1-CB 4.2Å; I30-D33 VanDerWaalsContact CG1-CG 3.48Å; I30-D33 WeakPolarHBondContact CG1-OD2 3.29Å; I30-D33 WeakPolarHBondContact O-CB 3.47Å; I30-D33 PolarHBondContact O-N 2.85Å; A31-D33 VanDerWaalsContact C-N 3.3Å; A31-D33 PolarHBondContact O-N 2.87Å; D33-R35 PolarHBondContact O-N 3.19Å; D33-R35 VanDerWaalsContact O-N 3.12Å; D33-R36 PolarHBondContact O-N 3.04Å; D33-R36 VanDerWaalsContact O-N 3.09Å
34	T	96.8	Very high	96.2	Very high	13 Å²	13	68.2 Å²	68.2	8%	0.08	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-63.5	-19.1	-179.9	70.2	0	0	0	0	113.4	I24 F29 A31 R32 R36 L37	I24-T34 HydrophobicContact CD1-CG2 3.89Å; I24-T34 HydrophobicContact CG1-CG2 3.87Å; F29-T34 HydrophobicContact CB-CG2 4.44Å; F29-T34 HydrophobicContact CD1-CG2 4.43Å; A31-T34 WeakPolarHBondContact O-CB 3.13Å; A31-T34 PolarHBondContact O-N 2.84Å; A31-T34 PolarHBondContact O-OG1 3.45Å; R32-T34 VanDerWaalsContact C-N 3.28Å; R32-T34 PolarHBondContact O-N 2.9Å; T34-R36 PolarHBondContact O-N 3.49Å; T34-R36 VanDerWaalsContact O-N 3.14Å; T34-L37 HydrophobicContact CG2-CD1 4.25Å; T34-L37 WeakPolarHBondContact O-CB 3.49Å; T34-L37 WeakPolarHBondContact O-CG 3.28Å; T34-L37 PolarHBondContact O-N 3.33Å; T34-L37 VanDerWaalsContact O-N 3.1Å
35	R	95.5	Very high	96.1	Very high	186 Å²	186	72.4 Å²	72.4	70%	0.702	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-61.8	-19.2	174.1	-64.6	-176.8	-179.8	-169.4	-0.3	113.6	D33	D33-R35 PolarHBondContact O-N 3.19Å; D33-R35 VanDerWaalsContact O-N 3.12Å
36	R	95.7	Very high	96	Very high	209 Å²	209	73.2 Å²	73.2	79%	0.789	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-90.5	-5.8	179.7	-57	178.8	-172.7	166.1	3.7	112.9	D33 T34 G38	D33-R36 PolarHBondContact O-N 3.04Å; D33-R36 VanDerWaalsContact O-N 3.09Å; T34-R36 PolarHBondContact O-N 3.49Å; T34-R36 VanDerWaalsContact O-N 3.14Å; R36-G38 PolarHBondContact O-N 2.85Å
37	L	96.5	Very high	95.9	Very high	56 Å²	56	77.6 Å²	77.6	29%	0.293	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-70.4	128.7	179.7	-64.6	169.9	0	0	0	109.5	T19 F29 T34	T19-L37 HydrophobicContact CG2-CD1 4.11Å; T19-L37 HydrophobicContact CG2-CD2 4.34Å; F29-L37 HydrophobicContact CE1-CD2 3.88Å; F29-L37 HydrophobicContact CE1-CG 4.39Å; F29-L37 HydrophobicContact CZ-CD2 4.4Å; T34-L37 HydrophobicContact CG2-CD1 4.25Å; T34-L37 WeakPolarHBondContact O-CB 3.49Å; T34-L37 WeakPolarHBondContact O-CG 3.28Å; T34-L37 PolarHBondContact O-N 3.33Å; T34-L37 VanDerWaalsContact O-N 3.1Å
38	G	96	Very high	95.9	Very high	54 Å²	54	76.3 Å²	76.3	56%	0.557	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-78.1	171	170.7	0	0	0	0	0	111.9	R36 T40	R36-G38 PolarHBondContact O-N 2.85Å; G38-T40 PolarHBondContact O-N 3.16Å
39	P	96.1	Very high	95.7	Very high	94 Å²	94	79.5 Å²	79.5	61%	0.61	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-60.5	134.1	170	-18.8	31.6	0	0	0	110.9	M41 Q64	P39-M41 PolarHBondContact O-N 3.44Å; P39-Q64 VanDerWaalsContact CB-NE2 3.35Å
40	T	96.1	Very high	95.5	Very high	10 Å²	10	76.3 Å²	76.3	6%	0.061	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-64.6	126.8	173.2	-40.1	0	0	0	0	109.8	T19 G38 E44 D60 Q64	T19-T40 PolarHBondContact OG1-OG1 3.49Å; G38-T40 PolarHBondContact O-N 3.16Å; T40-E44 HydrophobicContact CG2-CB 3.85Å; T40-E44 HydrophobicContact CG2-CG 3.64Å; T40-D60 WeakPolarHBondContact CG2-O 3.17Å; T40-Q64 PolarHBondContact O-NE2 3.36Å
41	M	95.4	Very high	95.2	Very high	131 Å²	131	74.8 Å²	74.8	65%	0.645	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-92.6	118.3	176.5	-66.2	-60.7	-69.4	0	0	109.2	P39 V43 F67	P39-M41 PolarHBondContact O-N 3.44Å; M41-V43 PolarHBondContact O-N 3.33Å; M41-F67 HydrophobicContact CE-CE2 4.44Å; M41-F67 HydrophobicContact CE-CZ 3.85Å; M41-F67 HydrophobicContact SD-CE2 4.22Å; M41-F67 HydrophobicContact SD-CZ 4.21Å
42	D	95.8	Very high	94.5	Very high	54 Å²	54	74.9 Å²	74.9	29%	0.289	36%	0.359	S	S	.	.	S	Bend	trans	49.4	-126.9	-173.8	-163.3	13.4	0	0	0	111.9	G62 F67 Y71 Q75	D42-G62 WeakPolarHBondContact O-CA 3.41Å; D42-G62 PolarHBondContact O-N 2.73Å; D42-F67 HydrophobicContact CB-CD1 4.26Å; D42-F67 HydrophobicContact CB-CE1 4.11Å; D42-F67 HydrophobicContact CB-CZ 4.46Å; D42-F67 VanDerWaalsContact N-CZ 3.32Å; D42-Y71 VanDerWaalsContact CA-OH 3.28Å; D42-Y71 WeakPolarHBondContact CA-OH 3.22Å; D42-Y71 PolarHBondContact O-OH 2.94Å; D42-Y71 WeakPolarHBondContact OD1-CE1 3.43Å; D42-Y71 PolarHBondContact OD1-OH 2.86Å; D42-Q75 PolarHBondContact OD2-NE2 3.02Å
43	V	97.3	Very high	93.9	Very high	22 Å²	22	67.4 Å²	67.4	13%	0.133	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121.4	179.2	-174.4	0	0	0	0	111.2	M41 W59 Y71 I79	M41-V43 PolarHBondContact O-N 3.33Å; V43-W59 HydrophobicContact CG1-CB 3.88Å; V43-W59 HydrophobicContact CG1-CD2 4.19Å; V43-W59 HydrophobicContact CG1-CE3 3.84Å; V43-W59 HydrophobicContact CG1-CG 4.26Å; V43-Y71 HydrophobicContact CG2-CE1 3.7Å; V43-I79 HydrophobicContact CG2-CD1 3.68Å
44	E	97.5	Very high	93.7	Very high	79 Å²	79	65.2 Å²	65.2	37%	0.369	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	121.5	166.9	-81.3	-175.5	-151.7	0	0	111	R22 T40 D60	R22-E44 IonicContact CZ-OE2 3.49Å; R22-E44 IonicContact NH2-OE2 3.43Å; R22-E44 PolarHBondContact NH2-OE2 3.4Å; T40-E44 HydrophobicContact CG2-CB 3.85Å; T40-E44 HydrophobicContact CG2-CG 3.64Å; E44-D60 HydrophobicContact CB-CB 4.26Å; E44-D60 PolarHBondContact N-O 3.23Å; E44-D60 WeakPolarHBondContact O-CB 3.35Å; E44-D60 PolarHBondContact O-N 3.37Å
45	H	96.1	Very high	93.6	Very high	95 Å²	95	65 Å²	65	44%	0.44	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	132.8	178.7	-60.4	-72.2	0	0	0	111.9	I58 W59	H45-I58 WeakPolarHBondContact CA-O 3.37Å; H45-W59 AromaticContact CE1-CD2 3.45Å; H45-W59 VanDerWaalsContact CE1-CD2 3.45Å; H45-W59 AromaticContact CE1-CE2 3.44Å; H45-W59 VanDerWaalsContact CE1-CE2 3.44Å; H45-W59 AromaticContact CE1-CE3 3.59Å; H45-W59 AromaticContact CE1-CH2 3.7Å; H45-W59 AromaticContact CE1-CZ2 3.58Å; H45-W59 AromaticContact CE1-CZ3 3.69Å; H45-W59 AromaticContact ND1-CD1 3.86Å; H45-W59 AromaticContact ND1-CD2 3.63Å; H45-W59 AromaticContact ND1-CE2 3.52Å; H45-W59 AromaticContact ND1-CG 3.82Å; H45-W59 AromaticContact ND1-NE1 3.67Å
46	A	95.2	Very high	93.7	Very high	16 Å²	16	56.2 Å²	56.2	13%	0.132	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	125.7	168.2	0	0	0	0	0	110.9	I58	A46-I58 HydrophobicContact CB-CB 4.31Å; A46-I58 PolarHBondContact N-O 3.13Å; A46-I58 PolarHBondContact O-N 3.42Å
47	H	94.9	Very high	93.7	Very high	128 Å²	128	47.5 Å²	47.5	59%	0.593	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	98	175.6	-63.2	-62.3	0	0	0	109.9	V55 N57	H47-V55 HydrophobicContact CB-CG1 4.36Å; H47-N57 PolarHBondContact CE1-OD1 3.45Å; H47-N57 PolarHBondContact ND1-OD1 3.45Å
48	V	93.9	Very high	93.8	Very high	24 Å²	24	44.9 Å²	44.9	15%	0.145	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	116.7	-178.7	-177.7	0	0	0	0	109.1	F26 V55 L56 I58	F26-V48 HydrophobicContact CB-CG2 3.96Å; F26-V48 HydrophobicContact CD1-CB 4.26Å; F26-V48 HydrophobicContact CD1-CG1 3.63Å; F26-V48 HydrophobicContact CD1-CG2 3.88Å; F26-V48 HydrophobicContact CE1-CG1 4.09Å; F26-V48 HydrophobicContact CG-CG1 4.46Å; F26-V48 HydrophobicContact CG-CG2 3.91Å; V48-V55 CarbonylContact O-C 3.56Å; V48-V55 WeakPolarHBondContact O-CA 3.45Å; V48-L56 HydrophobicContact CB-CB 4.28Å; V48-L56 PolarHBondContact N-O 2.81Å; V48-L56 PolarHBondContact O-N 2.82Å; V48-I58 HydrophobicContact CG2-CD1 3.98Å
49	R	92.4	Very high	93.9	Very high	149 Å²	149	43.7 Å²	43.7	56%	0.562	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	126.3	167.7	-172.7	-175.9	-67.8	-120	7	108.6	G52	R49-G52 VanDerWaalsContact CD-O 3.24Å; R49-G52 WeakPolarHBondContact CD-O 3.32Å; R49-G52 WeakPolarHBondContact CG-O 3.21Å; R49-G52 PolarHBondContact NH1-O 3.02Å; R49-G52 VanDerWaalsContact NH1-O 3.17Å
50	F	90.3	Very high	94	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	126.4	-176.5	-158.6	-93.5	0	0	0	107.8	G52 L54 L56 V175 I179 E205 T208 L210 I212	F50-G52 PolarHBondContact O-N 3.31Å; F50-G52 VanDerWaalsContact O-N 3.16Å; F50-L54 HydrophobicContact CB-CD2 4.37Å; F50-L54 HydrophobicContact CB-CG 4.42Å; F50-L54 HydrophobicContact CD1-CD2 4.18Å; F50-L54 PolarHBondContact N-O 2.94Å; F50-L54 VanDerWaalsContact O-CB 3.31Å; F50-L54 WeakPolarHBondContact O-CB 3.49Å; F50-L54 PolarHBondContact O-N 2.85Å; F50-L56 HydrophobicContact CB-CD1 4.21Å; F50-L56 HydrophobicContact CB-CG 4.1Å; F50-L56 HydrophobicContact CD2-CD1 4.06Å; F50-L56 HydrophobicContact CG-CD1 4.15Å; F50-V175 HydrophobicContact CE1-CB 4.18Å; F50-V175 HydrophobicContact CE1-CG2 4.1Å; F50-V175 HydrophobicContact CE2-CG1 4.42Å; F50-V175 HydrophobicContact CE2-CG2 4.48Å; F50-V175 HydrophobicContact CZ-CB 4.01Å; F50-V175 HydrophobicContact CZ-CG1 4.34Å; F50-V175 HydrophobicContact CZ-CG2 3.69Å; F50-I179 HydrophobicContact CE1-CD1 4.07Å; F50-I179 HydrophobicContact CE1-CG1 4.26Å; F50-E205 HydrophobicContact CD1-CG 4.23Å; F50-E205 HydrophobicContact CD2-CB 4.43Å; F50-E205 HydrophobicContact CD2-CG 3.74Å; F50-E205 HydrophobicContact CE1-CB 4.07Å; F50-E205 HydrophobicContact CE1-CG 4.02Å; F50-E205 HydrophobicContact CE2-CB 3.71Å; F50-E205 HydrophobicContact CE2-CG 3.51Å; F50-E205 HydrophobicContact CG-CG 4.09Å; F50-E205 HydrophobicContact CZ-CB 3.48Å; F50-E205 VanDerWaalsContact CZ-CB 3.48Å; F50-E205 HydrophobicContact CZ-CG 3.66Å; F50-T208 HydrophobicContact CE2-CG2 4.24Å; F50-L210 HydrophobicContact CE2-CD1 4.17Å; F50-L210 HydrophobicContact CZ-CB 4.45Å; F50-L210 HydrophobicContact CZ-CD1 4.39Å; F50-I212 HydrophobicContact CE1-CG2 3.94Å; F50-I212 HydrophobicContact CZ-CG2 4.02Å
51	L	89.1	Confident	94.1	Very high	8 Å²	8	38.8 Å²	38.8	4%	0.042	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	38.5	-177.7	-54.3	178	0	0	0	114.7	N53 I179 E205 I212 T268 E298	L51-N53 PolarHBondContact O-N 3.39Å; L51-N53 VanDerWaalsContact O-N 3.09Å; L51-I179 HydrophobicContact CD1-CD1 3.89Å; L51-I179 HydrophobicContact CD1-CG1 3.97Å; L51-I179 HydrophobicContact CD1-CG2 4.01Å; L51-E205 HydrophobicContact CD2-CB 4.16Å; L51-E205 HydrophobicContact CD2-CG 3.92Å; L51-E205 HydrophobicContact CG-CG 4.37Å; L51-I212 HydrophobicContact CD1-CD1 3.96Å; L51-I212 HydrophobicContact CD1-CG2 4.35Å; L51-I212 HydrophobicContact CD2-CD1 3.54Å; L51-I212 HydrophobicContact CD2-CG2 4.45Å; L51-I212 HydrophobicContact CG-CD1 4.4Å; L51-T268 HydrophobicContact CD2-CG2 3.62Å; L51-E298 WeakPolarHBondContact CA-OE1 3.49Å
52	G	82.9	Confident	94.3	Very high	16 Å²	16	32.6 Å²	32.6	17%	0.165	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	-69	173.4	0	0	0	0	0	115.1	R49 F50 N267	R49-G52 VanDerWaalsContact CD-O 3.24Å; R49-G52 WeakPolarHBondContact CD-O 3.32Å; R49-G52 WeakPolarHBondContact CG-O 3.21Å; R49-G52 PolarHBondContact NH1-O 3.02Å; R49-G52 VanDerWaalsContact NH1-O 3.17Å; F50-G52 PolarHBondContact O-N 3.31Å; F50-G52 VanDerWaalsContact O-N 3.16Å; G52-N267 WeakPolarHBondContact CA-ND2 3.49Å; G52-N267 PolarHBondContact N-ND2 3.31Å
53	N	83.2	Confident	94.3	Very high	23 Å²	23	30.3 Å²	30.3	12%	0.123	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-17.1	-169.6	77.5	-38	0	0	0	114.4	M3 M4 L51 Q301	M3-N53 CarbonylContact C-O 3.59Å; M3-N53 WeakPolarHBondContact CA-O 3.07Å; M4-N53 PolarHBondContact N-O 3.42Å; L51-N53 PolarHBondContact O-N 3.39Å; L51-N53 VanDerWaalsContact O-N 3.09Å; N53-Q301 PolarHBondContact ND2-O 3.04Å; N53-Q301 PolarHBondContact ND2-OXT 3.09Å; N53-Q301 VanDerWaalsContact OD1-C 3.26Å; N53-Q301 PolarHBondContact OD1-O 3.24Å; N53-Q301 PolarHBondContact OD1-OXT 3.37Å
54	L	91.5	Very high	94.3	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	133.6	171.4	170.9	68	0	0	0	109.3	K6 F50 L56 L178 I179	K6-L54 HydrophobicContact CB-CD1 4.17Å; K6-L54 HydrophobicContact CG-CD1 3.47Å; K6-L54 VanDerWaalsContact CG-CD1 3.47Å; F50-L54 HydrophobicContact CB-CD2 4.37Å; F50-L54 HydrophobicContact CB-CG 4.42Å; F50-L54 HydrophobicContact CD1-CD2 4.18Å; F50-L54 PolarHBondContact N-O 2.94Å; F50-L54 VanDerWaalsContact O-CB 3.31Å; F50-L54 WeakPolarHBondContact O-CB 3.49Å; F50-L54 PolarHBondContact O-N 2.85Å; L54-L56 HydrophobicContact CD1-CD2 4.31Å; L54-L56 HydrophobicContact CD2-CD2 4.07Å; L54-L56 HydrophobicContact CG-CD2 4.1Å; L54-L178 HydrophobicContact CD2-CB 4.47Å; L54-I179 HydrophobicContact CD2-CG1 4.49Å
55	V	94.4	Very high	94.1	Very high	8 Å²	8	32.3 Å²	32.3	5%	0.048	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	117.3	173.4	-179.9	0	0	0	0	109.1	M3 M4 K5 K6 H47 V48 N57	M3-V55 HydrophobicContact CB-CG2 4.36Å; M3-V55 HydrophobicContact CE-CG2 3.17Å; M4-V55 PolarHBondContact O-N 3.02Å; K5-V55 WeakPolarHBondContact CA-O 3.31Å; K5-V55 HydrophobicContact CG-CB 4.25Å; K6-V55 PolarHBondContact N-O 3.44Å; H47-V55 HydrophobicContact CB-CG1 4.36Å; V48-V55 CarbonylContact O-C 3.56Å; V48-V55 WeakPolarHBondContact O-CA 3.45Å; V55-N57 PolarHBondContact O-N 2.82Å
56	L	96.4	Very high	94.1	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	112.1	168.5	-48.8	-179	0	0	0	107.5	F26 V48 F50 L54 I58 V175 L178	F26-L56 HydrophobicContact CE1-CD1 4.24Å; F26-L56 HydrophobicContact CZ-CD1 4.36Å; V48-L56 HydrophobicContact CB-CB 4.28Å; V48-L56 PolarHBondContact N-O 2.81Å; V48-L56 PolarHBondContact O-N 2.82Å; F50-L56 HydrophobicContact CB-CD1 4.21Å; F50-L56 HydrophobicContact CB-CG 4.1Å; F50-L56 HydrophobicContact CD2-CD1 4.06Å; F50-L56 HydrophobicContact CG-CD1 4.15Å; L54-L56 HydrophobicContact CD1-CD2 4.31Å; L54-L56 HydrophobicContact CD2-CD2 4.07Å; L54-L56 HydrophobicContact CG-CD2 4.1Å; L56-I58 HydrophobicContact CB-CG1 4.24Å; L56-I58 PolarHBondContact O-N 3.03Å; L56-V175 HydrophobicContact CD1-CG1 3.93Å; L56-L178 HydrophobicContact CD2-CB 4.29Å; L56-L178 HydrophobicContact CD2-CD1 3.64Å
57	N	97.1	Very high	94.2	Very high	27 Å²	27	31.7 Å²	31.7	14%	0.144	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	90.5	171.8	-172.5	16.5	0	0	0	107.7	K6 V8 H47 V55 W59	K6-N57 PolarHBondContact O-N 3.27Å; V8-N57 PolarHBondContact N-O 3.46Å; H47-N57 PolarHBondContact CE1-OD1 3.45Å; H47-N57 PolarHBondContact ND1-OD1 3.45Å; V55-N57 PolarHBondContact O-N 2.82Å; N57-W59 VanDerWaalsContact CG-NE1 3.34Å; N57-W59 PolarHBondContact ND2-NE1 2.94Å; N57-W59 PolarHBondContact OD1-NE1 2.85Å
58	I	98	Very high	94.2	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	123.6	-177.1	-55.2	173.3	0	0	0	108.5	V8 L10 F26 H45 A46 V48 L56	V8-I58 HydrophobicContact CB-CG1 4.4Å; V8-I58 WeakPolarHBondContact O-CA 3.49Å; L10-I58 HydrophobicContact CB-CG2 4.48Å; F26-I58 HydrophobicContact CD2-CD1 3.57Å; F26-I58 HydrophobicContact CE1-CD1 4.47Å; F26-I58 HydrophobicContact CE2-CD1 3.4Å; F26-I58 VanDerWaalsContact CE2-CD1 3.4Å; F26-I58 HydrophobicContact CG-CD1 4.2Å; F26-I58 HydrophobicContact CZ-CD1 3.89Å; H45-I58 WeakPolarHBondContact CA-O 3.37Å; A46-I58 HydrophobicContact CB-CB 4.31Å; A46-I58 PolarHBondContact N-O 3.13Å; A46-I58 PolarHBondContact O-N 3.42Å; V48-I58 HydrophobicContact CG2-CD1 3.98Å; L56-I58 HydrophobicContact CB-CG1 4.24Å; L56-I58 PolarHBondContact O-N 3.03Å
59	W	98.4	Very high	94.3	Very high	29 Å²	29	29.8 Å²	29.8	11%	0.11	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	97.4	175.6	-70.2	46.7	0	0	0	107	K7 V8 L9 L10 V43 H45 N57 C61 Q78 I79	K7-W59 VanDerWaalsContact CE-CE2 3.44Å; K7-W59 HydrophobicContact CG-CG 4.49Å; V8-W59 PolarHBondContact O-N 2.9Å; L9-W59 HydrophobicContact CD2-CB 3.7Å; L9-W59 HydrophobicContact CD2-CD2 4.37Å; L9-W59 HydrophobicContact CD2-CE3 4.47Å; L9-W59 HydrophobicContact CD2-CG 4.05Å; L10-W59 PolarHBondContact N-O 3.45Å; V43-W59 HydrophobicContact CG1-CB 3.88Å; V43-W59 HydrophobicContact CG1-CD2 4.19Å; V43-W59 HydrophobicContact CG1-CE3 3.84Å; V43-W59 HydrophobicContact CG1-CG 4.26Å; H45-W59 AromaticContact CE1-CD2 3.45Å; H45-W59 VanDerWaalsContact CE1-CD2 3.45Å; H45-W59 AromaticContact CE1-CE2 3.44Å; H45-W59 VanDerWaalsContact CE1-CE2 3.44Å; H45-W59 AromaticContact CE1-CE3 3.59Å; H45-W59 AromaticContact CE1-CH2 3.7Å; H45-W59 AromaticContact CE1-CZ2 3.58Å; H45-W59 AromaticContact CE1-CZ3 3.69Å; H45-W59 AromaticContact ND1-CD1 3.86Å; H45-W59 AromaticContact ND1-CD2 3.63Å; H45-W59 AromaticContact ND1-CE2 3.52Å; H45-W59 AromaticContact ND1-CG 3.82Å; H45-W59 AromaticContact ND1-NE1 3.67Å; N57-W59 VanDerWaalsContact CG-NE1 3.34Å; N57-W59 PolarHBondContact ND2-NE1 2.94Å; N57-W59 PolarHBondContact OD1-NE1 2.85Å; W59-C61 PolarHBondContact O-N 3.29Å; W59-Q78 HydrophobicContact CH2-CG 4.22Å; W59-Q78 HydrophobicContact CZ3-CG 4.25Å; W59-I79 HydrophobicContact CE3-CD1 3.98Å; W59-I79 HydrophobicContact CZ3-CD1 3.97Å
60	D	98.5	Very high	94.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	98	176.8	-170.4	5.2	0	0	0	108.3	L10 T19 R22 T40 E44	L10-D60 HydrophobicContact CD2-CB 4.48Å; T19-D60 VanDerWaalsContact CA-OD2 3.27Å; T19-D60 WeakPolarHBondContact CA-OD2 3.33Å; T19-D60 WeakPolarHBondContact CB-OD2 3.32Å; T19-D60 PolarHBondContact OG1-OD1 3.01Å; T19-D60 PolarHBondContact OG1-OD2 2.77Å; R22-D60 IonicContact CZ-OD2 2.62Å; R22-D60 IonicContact NE-OD2 2.74Å; R22-D60 PolarHBondContact NE-OD2 2.73Å; R22-D60 IonicContact NH2-OD2 3.94Å; R22-D60 PolarHBondContact NH2-OD2 3.38Å; R22-D60 VanDerWaalsContact NH2-OD2 3.16Å; T40-D60 WeakPolarHBondContact CG2-O 3.17Å; E44-D60 HydrophobicContact CB-CB 4.26Å; E44-D60 PolarHBondContact N-O 3.23Å; E44-D60 WeakPolarHBondContact O-CB 3.35Å; E44-D60 PolarHBondContact O-N 3.37Å
61	C	98.4	Very high	94.8	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.007	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	130.2	-172.8	-62.8	0	0	0	0	111	L10 M11 K18 W59 G63 Y71	L10-C61 PolarHBondContact O-N 3.09Å; M11-C61 HydrophobicContact CE-CB 4.49Å; M11-C61 HydrophobicContact CG-CB 4.07Å; K18-C61 WeakPolarHBondContact CE-O 3.44Å; W59-C61 PolarHBondContact O-N 3.29Å; C61-G63 PolarHBondContact O-N 3.25Å; C61-Y71 HydrophobicContact CB-CD2 4.41Å; C61-Y71 HydrophobicContact CB-CE2 3.74Å
62	G	97.7	Very high	95.1	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.01	14%	0.143	C	C	.	.			trans	-59.8	120.4	173.4	0	0	0	0	0	111.1	D42 Q64 Y71	D42-G62 WeakPolarHBondContact O-CA 3.41Å; D42-G62 PolarHBondContact O-N 2.73Å; G62-Q64 PolarHBondContact O-N 3.48Å; G62-Y71 PolarHBondContact N-OH 3.46Å; G62-Y71 WeakPolarHBondContact O-CE2 3.29Å
63	G	97.1	Very high	95.6	Very high	6 Å²	6	30.2 Å²	30.2	6%	0.062	16%	0.163	C	C	.	.			trans	-85.1	15.7	-175	0	0	0	0	0	115.2	G12 K13 S14 C61	G12-G63 WeakPolarHBondContact O-CA 3.29Å; K13-G63 CarbonylContact C-O 3.14Å; S14-G63 VanDerWaalsContact N-C 3.33Å; S14-G63 PolarHBondContact N-O 2.81Å; C61-G63 PolarHBondContact O-N 3.25Å
64	Q	96.4	Very high	96.2	Very high	54 Å²	54	33.5 Å²	33.5	25%	0.252	19%	0.188	S	C	.	.	S	Bend	trans	-79.1	144.5	-179.3	-60.7	147.4	34.7	0	0	108.6	P39 T40 G62 A66 F67 M68	P39-Q64 VanDerWaalsContact CB-NE2 3.35Å; T40-Q64 PolarHBondContact O-NE2 3.36Å; G62-Q64 PolarHBondContact O-N 3.48Å; Q64-A66 VanDerWaalsContact C-N 3.31Å; Q64-A66 PolarHBondContact O-N 2.71Å; Q64-F67 HydrophobicContact CB-CD2 3.94Å; Q64-F67 HydrophobicContact CG-CD2 4.37Å; Q64-F67 PolarHBondContact O-N 3.4Å; Q64-M68 PolarHBondContact O-N 3.13Å
65	E	94.8	Very high	96.3	Very high	88 Å²	88	35.2 Å²	35.2	41%	0.411	20%	0.196	S	C	.	.	H	α-helix	trans	-55.1	-44.9	-169.4	-62.5	-174.8	-168	0	0	112.7	F67 M68 E69 K99	E65-F67 VanDerWaalsContact C-N 3.3Å; E65-F67 PolarHBondContact O-N 2.83Å; E65-M68 PolarHBondContact O-N 2.83Å; E65-E69 WeakPolarHBondContact O-CG 3.49Å; E65-E69 PolarHBondContact O-N 3.11Å; E65-K99 IonicContact OE1-NZ 2.91Å; E65-K99 PolarHBondContact OE1-NZ 2.85Å; E65-K99 IonicContact OE2-NZ 2.87Å; E65-K99 PolarHBondContact OE2-NZ 2.87Å
66	A	95.7	Very high	96.4	Very high	63 Å²	63	36.9 Å²	36.9	52%	0.521	20%	0.201	S	C	.	.	H	α-helix	trans	-59.3	-36.7	177.4	0	0	0	0	0	113.5	Q64 N70	Q64-A66 VanDerWaalsContact C-N 3.31Å; Q64-A66 PolarHBondContact O-N 2.71Å; A66-N70 VanDerWaalsContact O-CG 3.31Å; A66-N70 PolarHBondContact O-N 3.47Å; A66-N70 PolarHBondContact O-ND2 3.16Å; A66-N70 VanDerWaalsContact O-ND2 3.1Å
67	F	96.8	Very high	96.3	Very high	35 Å²	35	42 Å²	42	15%	0.154	23%	0.229	C	C	.	.	H	α-helix	trans	-75	-42.7	176.1	-65.9	-41.3	0	0	0	111.6	M41 D42 Q64 E65 E69 N70 Y71	M41-F67 HydrophobicContact CE-CE2 4.44Å; M41-F67 HydrophobicContact CE-CZ 3.85Å; M41-F67 HydrophobicContact SD-CE2 4.22Å; M41-F67 HydrophobicContact SD-CZ 4.21Å; D42-F67 HydrophobicContact CB-CD1 4.26Å; D42-F67 HydrophobicContact CB-CE1 4.11Å; D42-F67 HydrophobicContact CB-CZ 4.46Å; D42-F67 VanDerWaalsContact N-CZ 3.32Å; Q64-F67 HydrophobicContact CB-CD2 3.94Å; Q64-F67 HydrophobicContact CG-CD2 4.37Å; Q64-F67 PolarHBondContact O-N 3.4Å; E65-F67 VanDerWaalsContact C-N 3.3Å; E65-F67 PolarHBondContact O-N 2.83Å; F67-E69 VanDerWaalsContact C-N 3.33Å; F67-E69 PolarHBondContact O-N 2.88Å; F67-N70 WeakPolarHBondContact O-CB 3.31Å; F67-N70 PolarHBondContact O-N 3.29Å; F67-N70 VanDerWaalsContact O-N 3.14Å; F67-Y71 HydrophobicContact CB-CE2 3.97Å; F67-Y71 VanDerWaalsContact O-CD2 3.28Å; F67-Y71 WeakPolarHBondContact O-CD2 3.03Å; F67-Y71 VanDerWaalsContact O-CG 3.22Å; F67-Y71 PolarHBondContact O-N 3.3Å
68	M	95.6	Very high	96.2	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.015	25%	0.248	C	C	.	.	H	α-helix	trans	-57.5	-46	176.8	-69.1	-68.1	-71.6	0	0	111.4	M11 Q64 E65 N70 Y71 F72 Y103	M11-M68 HydrophobicContact CE-CE 4.36Å; M11-M68 HydrophobicContact CE-SD 4.13Å; Q64-M68 PolarHBondContact O-N 3.13Å; E65-M68 PolarHBondContact O-N 2.83Å; M68-N70 VanDerWaalsContact C-N 3.33Å; M68-N70 PolarHBondContact O-N 3.04Å; M68-Y71 WeakPolarHBondContact O-CB 3.28Å; M68-Y71 PolarHBondContact O-N 3.21Å; M68-Y71 VanDerWaalsContact O-N 3.15Å; M68-Y71 HydrophobicContact SD-CD2 4.09Å; M68-Y71 HydrophobicContact SD-CE2 4.44Å; M68-F72 HydrophobicContact CB-CE2 4.1Å; M68-F72 HydrophobicContact CE-CE2 3.91Å; M68-F72 HydrophobicContact CE-CZ 3.76Å; M68-F72 WeakPolarHBondContact O-CD2 3.46Å; M68-F72 VanDerWaalsContact O-CE2 3.29Å; M68-F72 WeakPolarHBondContact O-CE2 3.37Å; M68-F72 PolarHBondContact O-N 3.09Å; M68-Y103 HydrophobicContact CB-CD1 4.27Å; M68-Y103 HydrophobicContact CB-CE1 3.94Å; M68-Y103 HydrophobicContact CE-CD1 4.07Å; M68-Y103 HydrophobicContact CE-CG 4.08Å
69	E	95.3	Very high	96.2	Very high	109 Å²	109	46.3 Å²	46.3	51%	0.509	25%	0.248	S	C	.	.	H	α-helix	trans	-59.3	-42.2	175.7	-72.9	176.4	-177.3	0	0	112.6	E65 F67 Y71 F72 T73	E65-E69 WeakPolarHBondContact O-CG 3.49Å; E65-E69 PolarHBondContact O-N 3.11Å; F67-E69 VanDerWaalsContact C-N 3.33Å; F67-E69 PolarHBondContact O-N 2.88Å; E69-Y71 VanDerWaalsContact C-N 3.34Å; E69-Y71 PolarHBondContact O-N 3.4Å; E69-F72 PolarHBondContact O-N 3.31Å; E69-T73 WeakPolarHBondContact O-CB 3.18Å; E69-T73 WeakPolarHBondContact O-CG2 3.43Å; E69-T73 PolarHBondContact O-N 3.42Å; E69-T73 VanDerWaalsContact O-N 3.11Å; E69-T73 PolarHBondContact O-OG1 3.35Å
70	N	96.2	Very high	96.2	Very high	66 Å²	66	44.9 Å²	44.9	35%	0.353	24%	0.242	S	C	.	.	H	α-helix	trans	-63.3	-38.7	175.4	-73.5	-29.8	0	0	0	112.1	A66 F67 M68 F72 T73 S74 Q75	A66-N70 VanDerWaalsContact O-CG 3.31Å; A66-N70 PolarHBondContact O-N 3.47Å; A66-N70 PolarHBondContact O-ND2 3.16Å; A66-N70 VanDerWaalsContact O-ND2 3.1Å; F67-N70 WeakPolarHBondContact O-CB 3.31Å; F67-N70 PolarHBondContact O-N 3.29Å; F67-N70 VanDerWaalsContact O-N 3.14Å; M68-N70 VanDerWaalsContact C-N 3.33Å; M68-N70 PolarHBondContact O-N 3.04Å; N70-F72 VanDerWaalsContact C-N 3.27Å; N70-F72 PolarHBondContact O-N 2.92Å; N70-T73 CarbonylContact O-C 3.53Å; N70-T73 PolarHBondContact O-N 2.94Å; N70-S74 PolarHBondContact O-N 2.93Å; N70-Q75 PolarHBondContact O-N 2.89Å
71	Y	97	Very high	96.1	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.7	-32.4	175.8	-58.3	-31.3	0	0	0	113.2	M11 D42 V43 C61 G62 F67 M68 E69 Q75 R76 I79	M11-Y71 HydrophobicContact CE-CD2 3.89Å; M11-Y71 HydrophobicContact CE-CG 4.49Å; D42-Y71 VanDerWaalsContact CA-OH 3.28Å; D42-Y71 WeakPolarHBondContact CA-OH 3.22Å; D42-Y71 PolarHBondContact O-OH 2.94Å; D42-Y71 WeakPolarHBondContact OD1-CE1 3.43Å; D42-Y71 PolarHBondContact OD1-OH 2.86Å; V43-Y71 HydrophobicContact CG2-CE1 3.7Å; C61-Y71 HydrophobicContact CB-CD2 4.41Å; C61-Y71 HydrophobicContact CB-CE2 3.74Å; G62-Y71 PolarHBondContact N-OH 3.46Å; G62-Y71 WeakPolarHBondContact O-CE2 3.29Å; F67-Y71 HydrophobicContact CB-CE2 3.97Å; F67-Y71 VanDerWaalsContact O-CD2 3.28Å; F67-Y71 WeakPolarHBondContact O-CD2 3.03Å; F67-Y71 VanDerWaalsContact O-CG 3.22Å; F67-Y71 PolarHBondContact O-N 3.3Å; M68-Y71 WeakPolarHBondContact O-CB 3.28Å; M68-Y71 PolarHBondContact O-N 3.21Å; M68-Y71 VanDerWaalsContact O-N 3.15Å; M68-Y71 HydrophobicContact SD-CD2 4.09Å; M68-Y71 HydrophobicContact SD-CE2 4.44Å; E69-Y71 VanDerWaalsContact C-N 3.34Å; E69-Y71 PolarHBondContact O-N 3.4Å; Y71-Q75 HydrophobicContact CD1-CB 4.48Å; Y71-R76 WeakPolarHBondContact O-CA 3.24Å; Y71-R76 PolarHBondContact O-N 3.26Å; Y71-I79 HydrophobicContact CD1-CD1 3.77Å; Y71-I79 HydrophobicContact CD1-CG1 3.69Å; Y71-I79 HydrophobicContact CE1-CD1 3.98Å; Y71-I79 HydrophobicContact CE1-CG1 4.4Å; Y71-I79 HydrophobicContact CG-CG1 4.23Å
72	F	95.4	Very high	96	Very high	21 Å²	21	56.9 Å²	56.9	9%	0.092	30%	0.3	C	S	.	.	H	α-helix	trans	-87.5	-13.9	178.9	-56.8	-53.2	0	0	0	113.8	M68 E69 N70 R76 F80 Y103 L106 C107	M68-F72 HydrophobicContact CB-CE2 4.1Å; M68-F72 HydrophobicContact CE-CE2 3.91Å; M68-F72 HydrophobicContact CE-CZ 3.76Å; M68-F72 WeakPolarHBondContact O-CD2 3.46Å; M68-F72 VanDerWaalsContact O-CE2 3.29Å; M68-F72 WeakPolarHBondContact O-CE2 3.37Å; M68-F72 PolarHBondContact O-N 3.09Å; E69-F72 PolarHBondContact O-N 3.31Å; N70-F72 VanDerWaalsContact C-N 3.27Å; N70-F72 PolarHBondContact O-N 2.92Å; F72-R76 PolarHBondContact O-NH1 3.29Å; F72-F80 HydrophobicContact CD1-CE2 4.04Å; F72-F80 HydrophobicContact CD1-CZ 4.15Å; F72-F80 HydrophobicContact CE1-CE2 4.12Å; F72-F80 AromaticContact CE1-CZ 3.77Å; F72-F80 HydrophobicContact CE1-CZ 3.77Å; F72-Y103 HydrophobicContact CD2-CD1 4.46Å; F72-Y103 AromaticContact CE2-CD1 3.63Å; F72-Y103 HydrophobicContact CE2-CD1 3.63Å; F72-Y103 HydrophobicContact CE2-CE1 4.17Å; F72-Y103 HydrophobicContact CZ-CD1 4.4Å; F72-L106 HydrophobicContact CD1-CB 3.93Å; F72-L106 HydrophobicContact CD2-CB 4.23Å; F72-L106 HydrophobicContact CD2-CD1 4.02Å; F72-L106 HydrophobicContact CE1-CB 3.75Å; F72-L106 HydrophobicContact CE2-CB 4.11Å; F72-L106 HydrophobicContact CE2-CD1 4.18Å; F72-L106 HydrophobicContact CG-CB 4.16Å; F72-L106 HydrophobicContact CG-CD1 4.49Å; F72-L106 HydrophobicContact CZ-CB 3.85Å; F72-C107 HydrophobicContact CE1-CB 4.33Å; F72-C107 VanDerWaalsContact CE1-SG 3.52Å; F72-C107 VanDerWaalsContact CZ-SG 3.52Å
73	T	94.7	Very high	96	Very high	95 Å²	95	57.2 Å²	57.2	58%	0.583	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	-96.6	-177	58.5	0	0	0	0	111.2	E69 N70 Q75 R76	E69-T73 WeakPolarHBondContact O-CB 3.18Å; E69-T73 WeakPolarHBondContact O-CG2 3.43Å; E69-T73 PolarHBondContact O-N 3.42Å; E69-T73 VanDerWaalsContact O-N 3.11Å; E69-T73 PolarHBondContact O-OG1 3.35Å; N70-T73 CarbonylContact O-C 3.53Å; N70-T73 PolarHBondContact O-N 2.94Å; T73-Q75 VanDerWaalsContact C-N 3.31Å; T73-Q75 PolarHBondContact O-N 2.99Å; T73-R76 WeakPolarHBondContact O-CB 3.34Å; T73-R76 PolarHBondContact O-N 2.99Å
74	S	94.8	Very high	96.1	Very high	93 Å²	93	60.1 Å²	60.1	65%	0.65	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-29.1	-170.5	58.5	0	0	0	0	114.2	N70	N70-S74 PolarHBondContact O-N 2.93Å
75	Q	94.6	Very high	96.1	Very high	37 Å²	37	57.5 Å²	57.5	17%	0.173	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	7.7	-178.5	-57.3	-173	7.1	0	0	113.8	D42 N70 Y71 T73 D77 Q78 I79	D42-Q75 PolarHBondContact OD2-NE2 3.02Å; N70-Q75 PolarHBondContact O-N 2.89Å; Y71-Q75 HydrophobicContact CD1-CB 4.48Å; T73-Q75 VanDerWaalsContact C-N 3.31Å; T73-Q75 PolarHBondContact O-N 2.99Å; Q75-D77 PolarHBondContact O-N 3.42Å; Q75-Q78 PolarHBondContact O-N 2.93Å; Q75-I79 HydrophobicContact CB-CG1 3.99Å; Q75-I79 WeakPolarHBondContact O-CG1 3.34Å; Q75-I79 PolarHBondContact O-N 3.33Å
76	R	95.8	Very high	96.3	Very high	44 Å²	44	53.3 Å²	53.3	17%	0.166	28%	0.282	C	S	.	.	H	α-helix	trans	-50.7	-51.4	-170.6	-168.5	-176.6	-175.8	89.1	-2.3	113.4	Y71 F72 T73 Q78 I79 F80 A110	Y71-R76 WeakPolarHBondContact O-CA 3.24Å; Y71-R76 PolarHBondContact O-N 3.26Å; F72-R76 PolarHBondContact O-NH1 3.29Å; T73-R76 WeakPolarHBondContact O-CB 3.34Å; T73-R76 PolarHBondContact O-N 2.99Å; R76-Q78 PolarHBondContact O-N 3.48Å; R76-I79 PolarHBondContact O-N 3.49Å; R76-F80 HydrophobicContact CG-CD2 4.28Å; R76-F80 WeakPolarHBondContact O-CB 3.16Å; R76-F80 WeakPolarHBondContact O-CD2 3.44Å; R76-F80 PolarHBondContact O-N 2.93Å; R76-A110 HydrophobicContact CG-CB 4.34Å; R76-A110 VanDerWaalsContact NH2-CA 3.28Å
77	D	93.9	Very high	96.5	Very high	109 Å²	109	50.3 Å²	50.3	58%	0.583	26%	0.257	S	S	*	.	H	α-helix	trans	-67.3	-38.6	-178.7	-65.7	-14.2	0	0	0	111.9	Q75 R81	Q75-D77 PolarHBondContact O-N 3.42Å; D77-R81 WeakPolarHBondContact O-CB 3.31Å; D77-R81 PolarHBondContact O-N 2.72Å; D77-R81 VanDerWaalsContact O-N 3.14Å
78	Q	96	Very high	96.6	Very high	118 Å²	118	48.8 Å²	48.8	55%	0.551	25%	0.25	S	S	*	.	H	α-helix	trans	-64.9	-43.3	179.4	-178.3	-177.6	-0.8	0	0	111.6	K7 W59 Q75 R76	K7-Q78 PolarHBondContact NZ-O 3.44Å; W59-Q78 HydrophobicContact CH2-CG 4.22Å; W59-Q78 HydrophobicContact CZ3-CG 4.25Å; Q75-Q78 PolarHBondContact O-N 2.93Å; R76-Q78 PolarHBondContact O-N 3.48Å
79	I	97.8	Very high	96.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-74.5	-48.6	-177.7	-61.8	-67	0	0	0	110.8	K7 L9 V43 W59 Y71 Q75 R76	K7-I79 WeakPolarHBondContact CE-O 3.43Å; K7-I79 PolarHBondContact NZ-O 3.22Å; L9-I79 HydrophobicContact CD1-CG2 4.06Å; L9-I79 HydrophobicContact CD2-CG2 4.28Å; V43-I79 HydrophobicContact CG2-CD1 3.68Å; W59-I79 HydrophobicContact CE3-CD1 3.98Å; W59-I79 HydrophobicContact CZ3-CD1 3.97Å; Y71-I79 HydrophobicContact CD1-CD1 3.77Å; Y71-I79 HydrophobicContact CD1-CG1 3.69Å; Y71-I79 HydrophobicContact CE1-CD1 3.98Å; Y71-I79 HydrophobicContact CE1-CG1 4.4Å; Y71-I79 HydrophobicContact CG-CG1 4.23Å; Q75-I79 HydrophobicContact CB-CG1 3.99Å; Q75-I79 WeakPolarHBondContact O-CG1 3.34Å; Q75-I79 PolarHBondContact O-N 3.33Å; R76-I79 PolarHBondContact O-N 3.49Å
80	F	98.1	Very high	96.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-94.7	-3.5	-167.7	-66.6	-81.4	0	0	0	115	L9 M11 F72 R76 V83 C107 A110 L111 N114 S115	L9-F80 HydrophobicContact CD1-CD1 3.96Å; L9-F80 HydrophobicContact CD1-CE1 4.11Å; M11-F80 HydrophobicContact CE-CZ 4Å; M11-F80 HydrophobicContact SD-CE1 3.91Å; M11-F80 HydrophobicContact SD-CZ 3.82Å; F72-F80 HydrophobicContact CD1-CE2 4.04Å; F72-F80 HydrophobicContact CD1-CZ 4.15Å; F72-F80 HydrophobicContact CE1-CE2 4.12Å; F72-F80 AromaticContact CE1-CZ 3.77Å; F72-F80 HydrophobicContact CE1-CZ 3.77Å; R76-F80 HydrophobicContact CG-CD2 4.28Å; R76-F80 WeakPolarHBondContact O-CB 3.16Å; R76-F80 WeakPolarHBondContact O-CD2 3.44Å; R76-F80 PolarHBondContact O-N 2.93Å; F80-V83 WeakPolarHBondContact O-CG2 3.27Å; F80-C107 HydrophobicContact CE1-CB 4.1Å; F80-C107 HydrophobicContact CZ-CB 4.31Å; F80-A110 HydrophobicContact CB-CB 4.13Å; F80-A110 HydrophobicContact CD1-CB 3.7Å; F80-A110 HydrophobicContact CD2-CB 3.42Å; F80-A110 VanDerWaalsContact CD2-CB 3.42Å; F80-A110 HydrophobicContact CE1-CB 3.9Å; F80-A110 HydrophobicContact CE2-CB 3.64Å; F80-A110 HydrophobicContact CG-CB 3.45Å; F80-A110 VanDerWaalsContact CG-CB 3.45Å; F80-A110 HydrophobicContact CZ-CB 3.87Å; F80-L111 HydrophobicContact CD1-CD1 4.48Å; F80-N114 VanDerWaalsContact C-CB 3.49Å; F80-N114 HydrophobicContact CB-CB 3.88Å; F80-N114 WeakPolarHBondContact O-CB 3.26Å; F80-S115 PolarHBondContact O-OG 3.3Å
81	R	97.2	Very high	97	Very high	171 Å²	171	42.6 Å²	42.6	65%	0.645	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	139.7	174.4	-176.1	175.3	-178.6	177.7	3.3	113.3	K7 D77 V83	K7-R81 WeakPolarHBondContact CD-O 3.45Å; K7-R81 PolarHBondContact NZ-O 2.9Å; D77-R81 WeakPolarHBondContact O-CB 3.31Å; D77-R81 PolarHBondContact O-N 2.72Å; D77-R81 VanDerWaalsContact O-N 3.14Å; R81-V83 PolarHBondContact O-N 3.32Å
82	S	96.3	Very high	97.1	Very high	82 Å²	82	43.5 Å²	43.5	57%	0.573	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.9	37	175	-57.6	0	0	0	0	113.4	K7 S115	K7-S82 VanDerWaalsContact CB-O 3.23Å; K7-S82 WeakPolarHBondContact CB-O 3.38Å; S82-S115 PolarHBondContact N-OG 3.22Å
83	V	97.8	Very high	97.1	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.042	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	130	175	-179.5	0	0	0	0	108.3	K7 L9 F80 R81 V85 L111 S115 A118	K7-V83 HydrophobicContact CD-CG2 4.08Å; L9-V83 HydrophobicContact CB-CG1 4.38Å; L9-V83 HydrophobicContact CD1-CB 4.39Å; L9-V83 HydrophobicContact CD1-CG1 4Å; L9-V83 HydrophobicContact CD1-CG2 3.46Å; L9-V83 VanDerWaalsContact CD1-CG2 3.46Å; L9-V83 HydrophobicContact CD2-CG2 4.41Å; L9-V83 HydrophobicContact CG-CB 4.45Å; L9-V83 HydrophobicContact CG-CG1 3.84Å; L9-V83 HydrophobicContact CG-CG2 3.71Å; F80-V83 WeakPolarHBondContact O-CG2 3.27Å; R81-V83 PolarHBondContact O-N 3.32Å; V83-V85 VanDerWaalsContact CG1-O 3.3Å; V83-V85 WeakPolarHBondContact CG1-O 3.19Å; V83-L111 HydrophobicContact CB-CD1 3.72Å; V83-L111 HydrophobicContact CG1-CD1 3.71Å; V83-L111 HydrophobicContact CG2-CD1 4.13Å; V83-S115 PolarHBondContact N-OG 3.19Å; V83-A118 HydrophobicContact CB-CB 4.39Å; V83-A118 HydrophobicContact CG1-CB 4.18Å; V83-A118 WeakPolarHBondContact O-CB 3.49Å
84	E	97.5	Very high	97.3	Very high	67 Å²	67	44.5 Å²	44.5	31%	0.313	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-35.5	176.7	-65.9	-91.4	-174.5	0	0	110.3	K6 K7 A118 H119 L178	K6-E84 HydrophobicContact CB-CB 4.44Å; K6-E84 HydrophobicContact CB-CG 4.25Å; K6-E84 HydrophobicContact CD-CB 4.17Å; K6-E84 HydrophobicContact CD-CG 3.51Å; K6-E84 WeakPolarHBondContact CD-OE1 3.28Å; K6-E84 WeakPolarHBondContact CD-OE2 3.26Å; K6-E84 IonicContact NZ-OE1 2.62Å; K6-E84 PolarHBondContact NZ-OE1 3.47Å; K6-E84 IonicContact NZ-OE2 2.77Å; K6-E84 PolarHBondContact NZ-OE2 3.07Å; K7-E84 PolarHBondContact O-N 2.92Å; E84-A118 WeakPolarHBondContact O-CA 3.41Å; E84-H119 PolarHBondContact O-N 2.81Å; E84-L178 HydrophobicContact CB-CD2 3.93Å
85	V	98.2	Very high	97.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	133.5	177.5	169.4	0	0	0	0	109.8	K7 V8 L9 V83 I87 H119 F121 I174 L178	K7-V85 PolarHBondContact O-N 2.74Å; V8-V85 WeakPolarHBondContact CA-O 3.44Å; V8-V85 HydrophobicContact CG1-CB 4.28Å; V8-V85 HydrophobicContact CG1-CG1 4.16Å; V8-V85 HydrophobicContact CG2-CB 4.42Å; L9-V85 PolarHBondContact N-O 3.26Å; V83-V85 VanDerWaalsContact CG1-O 3.3Å; V83-V85 WeakPolarHBondContact CG1-O 3.19Å; V85-I87 HydrophobicContact CG1-CG1 3.72Å; V85-H119 CarbonylContact C-O 3.48Å; V85-H119 WeakPolarHBondContact CA-O 3.15Å; V85-H119 HydrophobicContact CG2-CB 4.17Å; V85-F121 HydrophobicContact CG1-CD2 3.81Å; V85-F121 HydrophobicContact CG1-CE2 4.21Å; V85-F121 HydrophobicContact CG2-CE2 4.41Å; V85-I174 HydrophobicContact CG1-CG2 4.01Å; V85-L178 HydrophobicContact CG2-CD1 4.09Å; V85-L178 HydrophobicContact CG2-CD2 3.58Å; V85-L178 HydrophobicContact CG2-CG 3.94Å
86	L	98.5	Very high	97.4	Very high	0 Å²	0	54 Å²	54	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.7	160.9	172.4	63.8	0	0	0	109	L9 M11 C107 L108 L111 H119 V120 F121	L9-L86 HydrophobicContact CB-CD1 3.88Å; M11-L86 HydrophobicContact CB-CD1 4.18Å; M11-L86 HydrophobicContact CG-CD1 4.06Å; M11-L86 HydrophobicContact SD-CD1 4.12Å; L86-C107 HydrophobicContact CD2-CB 4.25Å; L86-L108 HydrophobicContact CD2-CD2 4.34Å; L86-L111 HydrophobicContact CB-CD2 4.02Å; L86-L111 HydrophobicContact CD2-CD2 4.03Å; L86-H119 PolarHBondContact N-O 3.37Å; L86-V120 HydrophobicContact CD2-CG1 4.49Å; L86-F121 PolarHBondContact O-N 2.93Å
87	I	98.8	Very high	97.3	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	109.4	167.5	-49	169.8	0	0	0	107	V8 L9 L10 M11 V85 V89 F121 L123 W171 I174	V8-I87 HydrophobicContact CG1-CD1 3.57Å; V8-I87 HydrophobicContact CG1-CG1 4.03Å; L9-I87 PolarHBondContact O-N 2.81Å; L10-I87 WeakPolarHBondContact CA-O 3.4Å; L10-I87 HydrophobicContact CD1-CB 3.86Å; L10-I87 HydrophobicContact CD1-CD1 4.44Å; L10-I87 HydrophobicContact CD1-CG2 3.79Å; M11-I87 PolarHBondContact N-O 3.26Å; V85-I87 HydrophobicContact CG1-CG1 3.72Å; I87-V89 HydrophobicContact CG2-CG2 4.34Å; I87-F121 CarbonylContact C-O 3.17Å; I87-F121 WeakPolarHBondContact CA-O 3.29Å; I87-L123 HydrophobicContact CG2-CD1 3.58Å; I87-L123 HydrophobicContact CG2-CG 3.8Å; I87-W171 HydrophobicContact CD1-CE3 4.3Å; I87-W171 HydrophobicContact CD1-CH2 3.35Å; I87-W171 HydrophobicContact CD1-CZ2 4.02Å; I87-W171 HydrophobicContact CD1-CZ3 3.51Å; I87-I174 HydrophobicContact CD1-CD1 3.91Å; I87-I174 HydrophobicContact CD1-CG2 4Å; I87-I174 HydrophobicContact CG1-CD1 4.04Å; I87-I174 HydrophobicContact CG1-CG2 4.32Å; I87-I174 HydrophobicContact CG2-CD1 4.27Å
88	Y	98.8	Very high	97.5	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.008	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128	175.8	-157.7	-76.2	0	0	0	110.7	M11 F90 Y103 Y104 C107 F121 C122 L123	M11-Y88 HydrophobicContact CB-CD2 3.97Å; M11-Y88 HydrophobicContact CB-CE2 4.22Å; M11-Y88 CarbonylContact O-C 3.45Å; M11-Y88 WeakPolarHBondContact O-CA 3.28Å; Y88-F90 HydrophobicContact CD1-CD1 4.31Å; Y88-F90 AromaticContact CD1-CD2 3.92Å; Y88-F90 HydrophobicContact CD1-CD2 3.92Å; Y88-F90 AromaticContact CD1-CE1 3.83Å; Y88-F90 HydrophobicContact CD1-CE1 3.83Å; Y88-F90 AromaticContact CD1-CE2 3.39Å; Y88-F90 HydrophobicContact CD1-CE2 3.39Å; Y88-F90 HydrophobicContact CD1-CG 4.35Å; Y88-F90 AromaticContact CD1-CZ 3.33Å; Y88-F90 HydrophobicContact CD1-CZ 3.33Å; Y88-F90 HydrophobicContact CE1-CD1 4.09Å; Y88-F90 AromaticContact CE1-CE1 3.56Å; Y88-F90 HydrophobicContact CE1-CE1 3.56Å; Y88-F90 HydrophobicContact CE1-CE2 4.04Å; Y88-F90 AromaticContact CE1-CZ 3.53Å; Y88-F90 HydrophobicContact CE1-CZ 3.53Å; Y88-F90 HydrophobicContact CG-CE2 4.24Å; Y88-F90 HydrophobicContact CG-CZ 4.28Å; Y88-Y103 WeakPolarHBondContact OH-CB 3.21Å; Y88-Y104 AromaticContact CD1-CD2 3.97Å; Y88-Y104 HydrophobicContact CD1-CD2 3.97Å; Y88-Y104 HydrophobicContact CD1-CG 4.48Å; Y88-Y104 AromaticContact CD2-CD2 3.59Å; Y88-Y104 HydrophobicContact CD2-CD2 3.59Å; Y88-Y104 HydrophobicContact CD2-CE2 4.36Å; Y88-Y104 HydrophobicContact CE1-CD2 4.4Å; Y88-Y104 HydrophobicContact CE2-CD2 4.04Å; Y88-Y104 AromaticContact CG-CD2 3.53Å; Y88-Y104 HydrophobicContact CG-CD2 3.53Å; Y88-Y104 HydrophobicContact CG-CE2 4.1Å; Y88-Y104 HydrophobicContact CG-CG 4.44Å; Y88-Y104 PolarHBondContact OH-N 3.11Å; Y88-C107 HydrophobicContact CD2-CB 4.4Å; Y88-C107 HydrophobicContact CE2-CB 4.33Å; Y88-F121 PolarHBondContact N-O 3.34Å; Y88-C122 CarbonylContact O-C 3.58Å; Y88-C122 WeakPolarHBondContact O-CA 3.49Å; Y88-L123 PolarHBondContact O-N 3.17Å
89	V	98.9	Very high	97.5	Very high	1 Å²	1	51 Å²	51	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	117.7	-170.8	-171.4	0	0	0	0	110.3	L10 M11 S16 K18 M21 I87 H125	L10-V89 HydrophobicContact CD1-CG2 3.71Å; M11-V89 PolarHBondContact O-N 3.21Å; S16-V89 WeakPolarHBondContact O-CG1 3.5Å; S16-V89 PolarHBondContact OG-O 3.49Å; K18-V89 HydrophobicContact CG-CB 3.96Å; K18-V89 HydrophobicContact CG-CG2 3.8Å; M21-V89 HydrophobicContact CE-CB 4.06Å; M21-V89 HydrophobicContact CE-CG1 3.5Å; M21-V89 VanDerWaalsContact CE-CG1 3.5Å; M21-V89 HydrophobicContact CE-CG2 3.34Å; I87-V89 HydrophobicContact CG2-CG2 4.34Å; V89-H125 HydrophobicContact CG1-CB 3.69Å
90	F	98.8	Very high	97.5	Very high	15 Å²	15	51.4 Å²	51.4	7%	0.066	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	133.7	175.4	-64	-84.6	0	0	0	110	Y88 D100 Y101 Y104 C122 L123 H125 L146	Y88-F90 HydrophobicContact CD1-CD1 4.31Å; Y88-F90 AromaticContact CD1-CD2 3.92Å; Y88-F90 HydrophobicContact CD1-CD2 3.92Å; Y88-F90 AromaticContact CD1-CE1 3.83Å; Y88-F90 HydrophobicContact CD1-CE1 3.83Å; Y88-F90 AromaticContact CD1-CE2 3.39Å; Y88-F90 HydrophobicContact CD1-CE2 3.39Å; Y88-F90 HydrophobicContact CD1-CG 4.35Å; Y88-F90 AromaticContact CD1-CZ 3.33Å; Y88-F90 HydrophobicContact CD1-CZ 3.33Å; Y88-F90 HydrophobicContact CE1-CD1 4.09Å; Y88-F90 AromaticContact CE1-CE1 3.56Å; Y88-F90 HydrophobicContact CE1-CE1 3.56Å; Y88-F90 HydrophobicContact CE1-CE2 4.04Å; Y88-F90 AromaticContact CE1-CZ 3.53Å; Y88-F90 HydrophobicContact CE1-CZ 3.53Å; Y88-F90 HydrophobicContact CG-CE2 4.24Å; Y88-F90 HydrophobicContact CG-CZ 4.28Å; F90-D100 HydrophobicContact CD1-CB 4.19Å; F90-D100 HydrophobicContact CE1-CB 4.26Å; F90-Y101 AromaticContact CE1-CD1 3.94Å; F90-Y101 HydrophobicContact CE1-CD1 3.94Å; F90-Y101 HydrophobicContact CE1-CE1 4.2Å; F90-Y104 HydrophobicContact CE1-CG 4.49Å; F90-Y104 HydrophobicContact CE2-CG 4.48Å; F90-Y104 AromaticContact CZ-CD1 3.94Å; F90-Y104 HydrophobicContact CZ-CD1 3.94Å; F90-Y104 HydrophobicContact CZ-CD2 4.02Å; F90-Y104 AromaticContact CZ-CG 3.63Å; F90-Y104 HydrophobicContact CZ-CG 3.63Å; F90-C122 HydrophobicContact CD2-CB 4.43Å; F90-C122 HydrophobicContact CE2-CB 4.1Å; F90-L123 PolarHBondContact N-O 2.72Å; F90-H125 WeakPolarHBondContact O-CB 3.47Å; F90-H125 PolarHBondContact O-N 3.19Å; F90-L146 HydrophobicContact CD2-CD1 3.94Å; F90-L146 HydrophobicContact CD2-CD2 4.18Å; F90-L146 HydrophobicContact CE1-CD2 4.03Å; F90-L146 HydrophobicContact CE2-CD1 3.85Å; F90-L146 HydrophobicContact CE2-CD2 3.41Å; F90-L146 VanDerWaalsContact CE2-CD2 3.41Å; F90-L146 HydrophobicContact CE2-CG 4.29Å; F90-L146 HydrophobicContact CZ-CD2 3.32Å
91	D	98.4	Very high	97.5	Very high	33 Å²	33	52.8 Å²	52.8	18%	0.176	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	121.5	169.2	-167.6	-24.7	0	0	0	108.9	E93 S94 K126	D91-E93 PolarHBondContact O-N 3.41Å; D91-E93 PolarHBondContact OD1-N 2.85Å; D91-S94 VanDerWaalsContact O-CB 3.31Å; D91-S94 WeakPolarHBondContact O-CB 3.49Å; D91-S94 PolarHBondContact O-N 2.77Å; D91-K126 IonicContact OD1-NZ 2.77Å; D91-K126 WeakPolarHBondContact OD2-CE 3.15Å; D91-K126 IonicContact OD2-NZ 3.21Å; D91-K126 PolarHBondContact OD2-NZ 2.66Å
92	V	98.2	Very high	97.5	Very high	18 Å²	18	50.3 Å²	50.3	11%	0.109	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.5	-179.8	72.7	0	0	0	0	112.9	S94 I124 H125 K126 M127 V130 V138	V92-S94 VanDerWaalsContact C-N 3.34Å; V92-I124 HydrophobicContact CB-CG2 4.23Å; V92-I124 HydrophobicContact CG2-CG2 4.19Å; V92-H125 WeakPolarHBondContact CB-O 3.36Å; V92-H125 WeakPolarHBondContact CG1-O 3.37Å; V92-H125 PolarHBondContact N-O 3.36Å; V92-K126 HydrophobicContact CG1-CB 4.27Å; V92-K126 VanDerWaalsContact CG1-O 3.26Å; V92-K126 WeakPolarHBondContact CG1-O 3.21Å; V92-M127 HydrophobicContact CB-SD 4.12Å; V92-M127 HydrophobicContact CG1-SD 4.47Å; V92-M127 HydrophobicContact CG2-SD 3.68Å; V92-V130 HydrophobicContact CB-CG2 4.4Å; V92-V130 HydrophobicContact CG1-CG2 3.89Å; V92-V130 HydrophobicContact CG2-CG2 3.6Å; V92-V138 HydrophobicContact CG2-CG1 3.75Å
93	E	97	Very high	97.5	Very high	118 Å²	118	47.8 Å²	47.8	55%	0.551	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	7.2	177.2	-67.1	-162.6	131.2	0	0	113.5	D91 R95 L129	D91-E93 PolarHBondContact O-N 3.41Å; D91-E93 PolarHBondContact OD1-N 2.85Å; E93-R95 PolarHBondContact O-N 3.38Å; E93-L129 VanDerWaalsContact CD-CD1 3.43Å; E93-L129 HydrophobicContact CG-CB 4.04Å; E93-L129 HydrophobicContact CG-CD1 3.91Å; E93-L129 WeakPolarHBondContact OE2-CD1 3.18Å
94	S	97.2	Very high	97.6	Very high	20 Å²	20	47.4 Å²	47.4	14%	0.14	21%	0.214	C	C	.	.			trans	-58.8	129.1	179.4	-171.8	0	0	0	0	111.4	D91 V92 E96 D100	D91-S94 VanDerWaalsContact O-CB 3.31Å; D91-S94 WeakPolarHBondContact O-CB 3.49Å; D91-S94 PolarHBondContact O-N 2.77Å; V92-S94 VanDerWaalsContact C-N 3.34Å; S94-E96 PolarHBondContact OG-N 2.9Å; S94-D100 WeakPolarHBondContact CB-OD2 3.49Å; S94-D100 PolarHBondContact OG-OD2 2.98Å
95	R	96.1	Very high	97.6	Very high	244 Å²	244	48 Å²	48	92%	0.921	22%	0.217	S	C	*	.	S	Bend	trans	-88.7	-5.4	175.1	-60.1	-176.9	-177.5	-180	-0.1	113.1	E93	E93-R95 PolarHBondContact O-N 3.38Å
96	E	95.5	Very high	97.5	Very high	86 Å²	86	50.9 Å²	50.9	40%	0.402	23%	0.232	S	C	.	.			trans	-120.6	50.6	-176.9	-63.3	177.2	86	0	0	110.1	K13 S94 E98 K99 D100	K13-E96 IonicContact NZ-OE2 3.16Å; K13-E96 PolarHBondContact NZ-OE2 3.4Å; S94-E96 PolarHBondContact OG-N 2.9Å; E96-E98 VanDerWaalsContact C-N 3.28Å; E96-E98 PolarHBondContact O-N 3.26Å; E96-K99 HydrophobicContact CB-CB 4.08Å; E96-K99 WeakPolarHBondContact O-CB 3.05Å; E96-K99 PolarHBondContact O-N 3.19Å; E96-K99 VanDerWaalsContact O-N 3.1Å; E96-K99 WeakPolarHBondContact OE1-CD 3.36Å; E96-D100 PolarHBondContact O-N 3.15Å
97	V	95.3	Very high	97.5	Very high	22 Å²	22	50.9 Å²	50.9	13%	0.133	23%	0.232	C	C	.	.	H	α-helix	trans	-53.4	-45.7	-174.3	173.7	0	0	0	0	111.8	K99 D100 Y101	V97-K99 VanDerWaalsContact C-N 3.31Å; V97-K99 PolarHBondContact O-N 3.1Å; V97-D100 WeakPolarHBondContact O-CB 3.5Å; V97-D100 PolarHBondContact O-N 2.62Å; V97-Y101 HydrophobicContact CG1-CD2 3.99Å; V97-Y101 HydrophobicContact CG1-CE1 4.2Å; V97-Y101 HydrophobicContact CG1-CE2 3.46Å; V97-Y101 VanDerWaalsContact CG1-CE2 3.46Å; V97-Y101 PolarHBondContact O-N 2.82Å
98	E	96.5	Very high	97.5	Very high	133 Å²	133	51.3 Å²	51.3	62%	0.621	23%	0.234	S	C	*	.	H	α-helix	trans	-63.8	-39.1	-178.1	-68.1	74.4	-170.5	0	0	111.2	E96 Y101 Q102	E96-E98 VanDerWaalsContact C-N 3.28Å; E96-E98 PolarHBondContact O-N 3.26Å; E98-Y101 PolarHBondContact O-N 3.25Å; E98-Q102 WeakPolarHBondContact O-CG 3.48Å; E98-Q102 PolarHBondContact O-N 3.21Å
99	K	96.6	Very high	97.3	Very high	53 Å²	53	56 Å²	56	23%	0.23	26%	0.256	C	S	.	.	H	α-helix	trans	-68	-39.3	175.7	-166.5	178.5	-172	177.6	0	111	E65 E96 V97 Y101 Q102 Y103	E65-K99 IonicContact OE1-NZ 2.91Å; E65-K99 PolarHBondContact OE1-NZ 2.85Å; E65-K99 IonicContact OE2-NZ 2.87Å; E65-K99 PolarHBondContact OE2-NZ 2.87Å; E96-K99 HydrophobicContact CB-CB 4.08Å; E96-K99 WeakPolarHBondContact O-CB 3.05Å; E96-K99 PolarHBondContact O-N 3.19Å; E96-K99 VanDerWaalsContact O-N 3.1Å; E96-K99 WeakPolarHBondContact OE1-CD 3.36Å; V97-K99 VanDerWaalsContact C-N 3.31Å; V97-K99 PolarHBondContact O-N 3.1Å; K99-Y101 VanDerWaalsContact C-N 3.32Å; K99-Y101 PolarHBondContact O-N 2.8Å; K99-Q102 PolarHBondContact O-N 3.09Å; K99-Y103 HydrophobicContact CD-CE2 4.29Å; K99-Y103 HydrophobicContact CG-CD2 4.16Å; K99-Y103 HydrophobicContact CG-CE2 3.93Å; K99-Y103 WeakPolarHBondContact O-CD2 3.29Å; K99-Y103 PolarHBondContact O-N 3.27Å
100	D	97.7	Very high	97.3	Very high	7 Å²	7	56 Å²	56	4%	0.037	26%	0.256	C	S	.	.	H	α-helix	trans	-62.9	-40.6	175.3	-65.3	-19.3	0	0	0	111.2	K13 F90 S94 E96 V97 Y103 Y104	K13-D100 WeakPolarHBondContact CD-OD1 2.97Å; K13-D100 IonicContact NZ-OD1 2.62Å; F90-D100 HydrophobicContact CD1-CB 4.19Å; F90-D100 HydrophobicContact CE1-CB 4.26Å; S94-D100 WeakPolarHBondContact CB-OD2 3.49Å; S94-D100 PolarHBondContact OG-OD2 2.98Å; E96-D100 PolarHBondContact O-N 3.15Å; V97-D100 WeakPolarHBondContact O-CB 3.5Å; V97-D100 PolarHBondContact O-N 2.62Å; D100-Y103 PolarHBondContact O-N 2.87Å; D100-Y104 WeakPolarHBondContact O-CB 3.26Å; D100-Y104 PolarHBondContact O-N 2.81Å
101	Y	98.1	Very high	97.2	Very high	30 Å²	30	55.2 Å²	55.2	12%	0.118	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-40.5	174	-68.1	-16	0	0	0	112.6	F90 V97 E98 K99 Y104 Q105 R142 D145 L146 L149	F90-Y101 AromaticContact CE1-CD1 3.94Å; F90-Y101 HydrophobicContact CE1-CD1 3.94Å; F90-Y101 HydrophobicContact CE1-CE1 4.2Å; V97-Y101 HydrophobicContact CG1-CD2 3.99Å; V97-Y101 HydrophobicContact CG1-CE1 4.2Å; V97-Y101 HydrophobicContact CG1-CE2 3.46Å; V97-Y101 VanDerWaalsContact CG1-CE2 3.46Å; V97-Y101 PolarHBondContact O-N 2.82Å; E98-Y101 PolarHBondContact O-N 3.25Å; K99-Y101 VanDerWaalsContact C-N 3.32Å; K99-Y101 PolarHBondContact O-N 2.8Å; Y101-Y104 WeakPolarHBondContact O-CB 3.43Å; Y101-Y104 PolarHBondContact O-N 3.47Å; Y101-Q105 WeakPolarHBondContact O-CG 3.35Å; Y101-Q105 PolarHBondContact O-N 3.3Å; Y101-R142 WeakPolarHBondContact OH-CD 3.09Å; Y101-R142 PolarHBondContact OH-NH1 3.19Å; Y101-D145 HydrophobicContact CE2-CB 4.24Å; Y101-L146 HydrophobicContact CD1-CD2 4.11Å; Y101-L146 HydrophobicContact CE1-CD2 3.76Å; Y101-L146 HydrophobicContact CE1-CG 4.42Å; Y101-L149 HydrophobicContact CD1-CD1 3.88Å; Y101-L149 HydrophobicContact CD2-CD1 3.83Å; Y101-L149 HydrophobicContact CE1-CD1 4.38Å; Y101-L149 HydrophobicContact CE2-CD1 4.34Å; Y101-L149 HydrophobicContact CG-CD1 3.58Å
102	Q	97.1	Very high	97	Very high	119 Å²	119	57 Å²	57	56%	0.556	26%	0.261	S	S	*	.	H	α-helix	trans	-60.2	-48.1	174.9	-73.6	170.8	2.1	0	0	111.8	E98 K99 Y104 Q105 L106	E98-Q102 WeakPolarHBondContact O-CG 3.48Å; E98-Q102 PolarHBondContact O-N 3.21Å; K99-Q102 PolarHBondContact O-N 3.09Å; Q102-Y104 VanDerWaalsContact C-N 3.29Å; Q102-Y104 PolarHBondContact O-N 3.05Å; Q102-Q105 PolarHBondContact O-N 2.9Å; Q102-L106 WeakPolarHBondContact O-CG 3.37Å; Q102-L106 PolarHBondContact O-N 3.27Å
103	Y	97.7	Very high	96.9	Very high	28 Å²	28	62 Å²	62	11%	0.11	28%	0.283	C	S	.	.	H	α-helix	trans	-63.5	-35.9	176.6	-79.7	-54.6	0	0	0	112.7	M68 F72 Y88 K99 D100 L106 C107	M68-Y103 HydrophobicContact CB-CD1 4.27Å; M68-Y103 HydrophobicContact CB-CE1 3.94Å; M68-Y103 HydrophobicContact CE-CD1 4.07Å; M68-Y103 HydrophobicContact CE-CG 4.08Å; F72-Y103 HydrophobicContact CD2-CD1 4.46Å; F72-Y103 AromaticContact CE2-CD1 3.63Å; F72-Y103 HydrophobicContact CE2-CD1 3.63Å; F72-Y103 HydrophobicContact CE2-CE1 4.17Å; F72-Y103 HydrophobicContact CZ-CD1 4.4Å; Y88-Y103 WeakPolarHBondContact OH-CB 3.21Å; K99-Y103 HydrophobicContact CD-CE2 4.29Å; K99-Y103 HydrophobicContact CG-CD2 4.16Å; K99-Y103 HydrophobicContact CG-CE2 3.93Å; K99-Y103 WeakPolarHBondContact O-CD2 3.29Å; K99-Y103 PolarHBondContact O-N 3.27Å; D100-Y103 PolarHBondContact O-N 2.87Å; Y103-L106 HydrophobicContact CD1-CD1 4.31Å; Y103-L106 PolarHBondContact O-N 2.98Å; Y103-C107 PolarHBondContact O-N 2.52Å; Y103-C107 VanDerWaalsContact O-N 3.15Å; Y103-C107 PolarHBondContact O-SG 2.97Å
104	Y	98.4	Very high	96.8	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.9	-46.8	173.9	174.9	-124.9	0	0	0	112.1	Y88 F90 D100 Y101 Q102 L106 C107 L108 V120 C122 L146 L149 S150	Y88-Y104 AromaticContact CD1-CD2 3.97Å; Y88-Y104 HydrophobicContact CD1-CD2 3.97Å; Y88-Y104 HydrophobicContact CD1-CG 4.48Å; Y88-Y104 AromaticContact CD2-CD2 3.59Å; Y88-Y104 HydrophobicContact CD2-CD2 3.59Å; Y88-Y104 HydrophobicContact CD2-CE2 4.36Å; Y88-Y104 HydrophobicContact CE1-CD2 4.4Å; Y88-Y104 HydrophobicContact CE2-CD2 4.04Å; Y88-Y104 AromaticContact CG-CD2 3.53Å; Y88-Y104 HydrophobicContact CG-CD2 3.53Å; Y88-Y104 HydrophobicContact CG-CE2 4.1Å; Y88-Y104 HydrophobicContact CG-CG 4.44Å; Y88-Y104 PolarHBondContact OH-N 3.11Å; F90-Y104 HydrophobicContact CE1-CG 4.49Å; F90-Y104 HydrophobicContact CE2-CG 4.48Å; F90-Y104 AromaticContact CZ-CD1 3.94Å; F90-Y104 HydrophobicContact CZ-CD1 3.94Å; F90-Y104 HydrophobicContact CZ-CD2 4.02Å; F90-Y104 AromaticContact CZ-CG 3.63Å; F90-Y104 HydrophobicContact CZ-CG 3.63Å; D100-Y104 WeakPolarHBondContact O-CB 3.26Å; D100-Y104 PolarHBondContact O-N 2.81Å; Y101-Y104 WeakPolarHBondContact O-CB 3.43Å; Y101-Y104 PolarHBondContact O-N 3.47Å; Q102-Y104 VanDerWaalsContact C-N 3.29Å; Q102-Y104 PolarHBondContact O-N 3.05Å; Y104-L106 VanDerWaalsContact C-N 3.33Å; Y104-L106 PolarHBondContact O-N 2.96Å; Y104-C107 WeakPolarHBondContact O-CA 3.25Å; Y104-C107 VanDerWaalsContact O-CB 3.31Å; Y104-C107 WeakPolarHBondContact O-CB 3.46Å; Y104-C107 PolarHBondContact O-N 3.47Å; Y104-C107 VanDerWaalsContact O-N 3.08Å; Y104-L108 HydrophobicContact CD1-CD1 4.09Å; Y104-L108 HydrophobicContact CD2-CG 4.3Å; Y104-L108 HydrophobicContact CE1-CD1 3.59Å; Y104-L108 HydrophobicContact CE1-CG 4.28Å; Y104-L108 HydrophobicContact CE2-CD1 4.12Å; Y104-L108 HydrophobicContact CE2-CD2 3.78Å; Y104-L108 HydrophobicContact CE2-CG 3.91Å; Y104-L108 WeakPolarHBondContact O-CG 3.21Å; Y104-L108 PolarHBondContact O-N 3.45Å; Y104-V120 HydrophobicContact CE2-CG1 4.31Å; Y104-V120 WeakPolarHBondContact OH-CG1 3.45Å; Y104-C122 PolarHBondContact OH-SG 3.44Å; Y104-L146 HydrophobicContact CD1-CD2 4.05Å; Y104-L146 HydrophobicContact CE1-CD2 4Å; Y104-L149 HydrophobicContact CD1-CB 4.43Å; Y104-L149 HydrophobicContact CE1-CB 4.3Å; Y104-S150 PolarHBondContact OH-OG 2.63Å
105	Q	97.7	Very high	96.8	Very high	78 Å²	78	58.3 Å²	58.3	36%	0.364	27%	0.267	S	S	.	.	H	α-helix	trans	-60.1	-41.5	176.8	-71.7	-179.9	-65.5	0	0	112.1	Y101 Q102 C107 L108 E109 L149	Y101-Q105 WeakPolarHBondContact O-CG 3.35Å; Y101-Q105 PolarHBondContact O-N 3.3Å; Q102-Q105 PolarHBondContact O-N 2.9Å; Q105-C107 VanDerWaalsContact C-N 3.29Å; Q105-C107 PolarHBondContact O-N 3.01Å; Q105-L108 WeakPolarHBondContact O-CB 3.3Å; Q105-L108 PolarHBondContact O-N 2.98Å; Q105-L108 VanDerWaalsContact O-N 3.07Å; Q105-E109 WeakPolarHBondContact O-CG 3.38Å; Q105-E109 PolarHBondContact O-N 3.31Å; Q105-L149 HydrophobicContact CG-CD2 4.16Å
106	L	97.4	Very high	96.6	Very high	62 Å²	62	55.8 Å²	55.8	33%	0.325	26%	0.257	S	S	.	.	H	α-helix	trans	-59.9	-37.7	174.3	-69.7	173.4	0	0	0	112.4	F72 Q102 Y103 Y104 A110	F72-L106 HydrophobicContact CD1-CB 3.93Å; F72-L106 HydrophobicContact CD2-CB 4.23Å; F72-L106 HydrophobicContact CD2-CD1 4.02Å; F72-L106 HydrophobicContact CE1-CB 3.75Å; F72-L106 HydrophobicContact CE2-CB 4.11Å; F72-L106 HydrophobicContact CE2-CD1 4.18Å; F72-L106 HydrophobicContact CG-CB 4.16Å; F72-L106 HydrophobicContact CG-CD1 4.49Å; F72-L106 HydrophobicContact CZ-CB 3.85Å; Q102-L106 WeakPolarHBondContact O-CG 3.37Å; Q102-L106 PolarHBondContact O-N 3.27Å; Y103-L106 HydrophobicContact CD1-CD1 4.31Å; Y103-L106 PolarHBondContact O-N 2.98Å; Y104-L106 VanDerWaalsContact C-N 3.33Å; Y104-L106 PolarHBondContact O-N 2.96Å; L106-A110 WeakPolarHBondContact O-CB 3.25Å; L106-A110 PolarHBondContact O-N 3.18Å; L106-A110 VanDerWaalsContact O-N 3.09Å
107	C	97.8	Very high	96.5	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.6	-44.3	172.1	-72.3	0	0	0	0	111.9	M11 F72 F80 L86 Y88 Y103 Y104 Q105 A110 L111	M11-C107 VanDerWaalsContact CE-SG 3.57Å; F72-C107 HydrophobicContact CE1-CB 4.33Å; F72-C107 VanDerWaalsContact CE1-SG 3.52Å; F72-C107 VanDerWaalsContact CZ-SG 3.52Å; F80-C107 HydrophobicContact CE1-CB 4.1Å; F80-C107 HydrophobicContact CZ-CB 4.31Å; L86-C107 HydrophobicContact CD2-CB 4.25Å; Y88-C107 HydrophobicContact CD2-CB 4.4Å; Y88-C107 HydrophobicContact CE2-CB 4.33Å; Y103-C107 PolarHBondContact O-N 2.52Å; Y103-C107 VanDerWaalsContact O-N 3.15Å; Y103-C107 PolarHBondContact O-SG 2.97Å; Y104-C107 WeakPolarHBondContact O-CA 3.25Å; Y104-C107 VanDerWaalsContact O-CB 3.31Å; Y104-C107 WeakPolarHBondContact O-CB 3.46Å; Y104-C107 PolarHBondContact O-N 3.47Å; Y104-C107 VanDerWaalsContact O-N 3.08Å; Q105-C107 VanDerWaalsContact C-N 3.29Å; Q105-C107 PolarHBondContact O-N 3.01Å; C107-A110 PolarHBondContact O-N 3.47Å; C107-L111 VanDerWaalsContact O-CB 3.29Å; C107-L111 WeakPolarHBondContact O-CB 3.33Å; C107-L111 PolarHBondContact O-N 3.37Å
108	L	97.7	Very high	96.6	Very high	9 Å²	9	58.3 Å²	58.3	5%	0.047	27%	0.274	C	S	.	.	H	α-helix	trans	-63.8	-44	179.3	-64.3	177.1	0	0	0	111.7	L86 Y104 Q105 A110 L111 M112 V120 L149 L153	L86-L108 HydrophobicContact CD2-CD2 4.34Å; Y104-L108 HydrophobicContact CD1-CD1 4.09Å; Y104-L108 HydrophobicContact CD2-CG 4.3Å; Y104-L108 HydrophobicContact CE1-CD1 3.59Å; Y104-L108 HydrophobicContact CE1-CG 4.28Å; Y104-L108 HydrophobicContact CE2-CD1 4.12Å; Y104-L108 HydrophobicContact CE2-CD2 3.78Å; Y104-L108 HydrophobicContact CE2-CG 3.91Å; Y104-L108 WeakPolarHBondContact O-CG 3.21Å; Y104-L108 PolarHBondContact O-N 3.45Å; Q105-L108 WeakPolarHBondContact O-CB 3.3Å; Q105-L108 PolarHBondContact O-N 2.98Å; Q105-L108 VanDerWaalsContact O-N 3.07Å; L108-A110 VanDerWaalsContact C-N 3.34Å; L108-A110 PolarHBondContact O-N 2.89Å; L108-L111 WeakPolarHBondContact O-CB 3.25Å; L108-L111 PolarHBondContact O-N 2.82Å; L108-M112 WeakPolarHBondContact O-CG 3.48Å; L108-M112 PolarHBondContact O-N 3.28Å; L108-V120 HydrophobicContact CD2-CG1 4Å; L108-V120 HydrophobicContact CD2-CG2 4.06Å; L108-L149 VanDerWaalsContact CD1-O 3.32Å; L108-L149 WeakPolarHBondContact CD1-O 3.46Å; L108-L153 HydrophobicContact CB-CD1 4.38Å; L108-L153 HydrophobicContact CD2-CD1 3.88Å
109	E	96.3	Very high	96.6	Very high	100 Å²	100	56 Å²	56	47%	0.467	26%	0.263	S	S	.	.	H	α-helix	trans	-59.5	-45.2	175.6	-72.2	176.3	-172.5	0	0	111.7	Q105 L111 M112 Q113	Q105-E109 WeakPolarHBondContact O-CG 3.38Å; Q105-E109 PolarHBondContact O-N 3.31Å; E109-L111 VanDerWaalsContact C-N 3.31Å; E109-L111 PolarHBondContact O-N 3.11Å; E109-M112 PolarHBondContact O-N 3.41Å; E109-Q113 VanDerWaalsContact O-CG 3.31Å; E109-Q113 WeakPolarHBondContact O-CG 3.48Å; E109-Q113 PolarHBondContact O-N 2.59Å
110	A	97.1	Very high	96.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.7	-37.7	177.2	0	0	0	0	0	111.8	R76 F80 L106 C107 L108 Q113 N114	R76-A110 HydrophobicContact CG-CB 4.34Å; R76-A110 VanDerWaalsContact NH2-CA 3.28Å; F80-A110 HydrophobicContact CB-CB 4.13Å; F80-A110 HydrophobicContact CD1-CB 3.7Å; F80-A110 HydrophobicContact CD2-CB 3.42Å; F80-A110 VanDerWaalsContact CD2-CB 3.42Å; F80-A110 HydrophobicContact CE1-CB 3.9Å; F80-A110 HydrophobicContact CE2-CB 3.64Å; F80-A110 HydrophobicContact CG-CB 3.45Å; F80-A110 VanDerWaalsContact CG-CB 3.45Å; F80-A110 HydrophobicContact CZ-CB 3.87Å; L106-A110 WeakPolarHBondContact O-CB 3.25Å; L106-A110 PolarHBondContact O-N 3.18Å; L106-A110 VanDerWaalsContact O-N 3.09Å; C107-A110 PolarHBondContact O-N 3.47Å; L108-A110 VanDerWaalsContact C-N 3.34Å; L108-A110 PolarHBondContact O-N 2.89Å; A110-Q113 PolarHBondContact O-N 2.65Å; A110-N114 WeakPolarHBondContact O-CB 3.15Å; A110-N114 PolarHBondContact O-N 2.86Å; A110-N114 VanDerWaalsContact O-N 3.15Å; A110-N114 PolarHBondContact O-ND2 2.9Å
111	L	96.9	Very high	96.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.7	-45.3	176.3	-163.5	70.6	0	0	0	111.7	F80 V83 L86 C107 L108 E109 Q113 N114 S115 A118 V120 L153	F80-L111 HydrophobicContact CD1-CD1 4.48Å; V83-L111 HydrophobicContact CB-CD1 3.72Å; V83-L111 HydrophobicContact CG1-CD1 3.71Å; V83-L111 HydrophobicContact CG2-CD1 4.13Å; L86-L111 HydrophobicContact CB-CD2 4.02Å; L86-L111 HydrophobicContact CD2-CD2 4.03Å; C107-L111 VanDerWaalsContact O-CB 3.29Å; C107-L111 WeakPolarHBondContact O-CB 3.33Å; C107-L111 PolarHBondContact O-N 3.37Å; L108-L111 WeakPolarHBondContact O-CB 3.25Å; L108-L111 PolarHBondContact O-N 2.82Å; E109-L111 VanDerWaalsContact C-N 3.31Å; E109-L111 PolarHBondContact O-N 3.11Å; L111-Q113 PolarHBondContact O-N 2.9Å; L111-N114 PolarHBondContact O-N 3.36Å; L111-S115 CarbonylContact O-C 3.58Å; L111-S115 WeakPolarHBondContact O-CA 3.43Å; L111-S115 PolarHBondContact O-N 3.12Å; L111-A118 HydrophobicContact CD1-CB 3.67Å; L111-A118 HydrophobicContact CD2-CB 3.76Å; L111-A118 HydrophobicContact CG-CB 3.82Å; L111-V120 HydrophobicContact CD2-CG2 3.75Å; L111-L153 HydrophobicContact CD2-CD1 4.26Å
112	M	95.7	Very high	96.8	Very high	69 Å²	69	51.9 Å²	51.9	34%	0.34	25%	0.245	S	C	.	.	H	α-helix	trans	-62.6	-27.8	176.8	-72.5	-179.1	65.9	0	0	113.3	L108 E109 R116 P152 L153	L108-M112 WeakPolarHBondContact O-CG 3.48Å; L108-M112 PolarHBondContact O-N 3.28Å; E109-M112 PolarHBondContact O-N 3.41Å; M112-R116 WeakPolarHBondContact O-CG 3.35Å; M112-R116 PolarHBondContact O-NE 2.93Å; M112-R116 VanDerWaalsContact O-NE 3.09Å; M112-P152 HydrophobicContact CE-CG 3.61Å; M112-P152 HydrophobicContact SD-CG 4.28Å; M112-L153 HydrophobicContact CG-CD1 3.7Å; M112-L153 HydrophobicContact CG-CD2 4.1Å; M112-L153 HydrophobicContact CG-CG 3.93Å; M112-L153 HydrophobicContact SD-CD1 4.41Å; M112-L153 HydrophobicContact SD-CG 4.36Å
113	Q	94.9	Very high	96.9	Very high	124 Å²	124	46.2 Å²	46.2	58%	0.579	22%	0.219	S	C	*	.	H	α-helix	trans	-79.7	-33.7	176.6	-71.6	169.7	-0.3	0	0	112.4	E109 A110 L111	E109-Q113 VanDerWaalsContact O-CG 3.31Å; E109-Q113 WeakPolarHBondContact O-CG 3.48Å; E109-Q113 PolarHBondContact O-N 2.59Å; A110-Q113 PolarHBondContact O-N 2.65Å; L111-Q113 PolarHBondContact O-N 2.9Å
114	N	95.5	Very high	97	Very high	48 Å²	48	45 Å²	45	26%	0.257	21%	0.214	S	C	.	.	H	α-helix	trans	-115.3	-23.2	-166.5	-69.6	-78.2	0	0	0	115.5	F80 A110 L111	F80-N114 VanDerWaalsContact C-CB 3.49Å; F80-N114 HydrophobicContact CB-CB 3.88Å; F80-N114 WeakPolarHBondContact O-CB 3.26Å; A110-N114 WeakPolarHBondContact O-CB 3.15Å; A110-N114 PolarHBondContact O-N 2.86Å; A110-N114 VanDerWaalsContact O-N 3.15Å; A110-N114 PolarHBondContact O-ND2 2.9Å; L111-N114 PolarHBondContact O-N 3.36Å
115	S	96.3	Very high	97	Very high	13 Å²	13	45.2 Å²	45.2	9%	0.091	22%	0.215	C	C	.	.			trans	-155.2	68.7	-174.8	-58.6	0	0	0	0	111.4	F80 S82 V83 L111 D117 A118	F80-S115 PolarHBondContact O-OG 3.3Å; S82-S115 PolarHBondContact N-OG 3.22Å; V83-S115 PolarHBondContact N-OG 3.19Å; L111-S115 CarbonylContact O-C 3.58Å; L111-S115 WeakPolarHBondContact O-CA 3.43Å; L111-S115 PolarHBondContact O-N 3.12Å; S115-D117 PolarHBondContact O-N 3.41Å; S115-A118 VanDerWaalsContact O-CB 3.25Å; S115-A118 WeakPolarHBondContact O-CB 3.42Å; S115-A118 PolarHBondContact O-N 3.21Å; S115-A118 VanDerWaalsContact O-N 3.14Å
116	R	93.2	Very high	97	Very high	190 Å²	190	44 Å²	44	72%	0.717	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.5	-173.4	-71.4	-179.7	-178.7	179.4	2.3	115.2	M112 A118	M112-R116 WeakPolarHBondContact O-CG 3.35Å; M112-R116 PolarHBondContact O-NE 2.93Å; M112-R116 VanDerWaalsContact O-NE 3.09Å; R116-A118 VanDerWaalsContact C-N 3.3Å
117	D	93.9	Very high	97.1	Very high	154 Å²	154	41.3 Å²	41.3	82%	0.824	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	2.6	-176.8	-55.7	-45.8	0	0	0	113.1	S115 H119	S115-D117 PolarHBondContact O-N 3.41Å; D117-H119 PolarHBondContact O-N 2.85Å
118	A	96.5	Very high	97.1	Very high	8 Å²	8	43.4 Å²	43.4	7%	0.066	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-64.1	135.9	-179.3	0	0	0	0	0	111.7	V83 E84 L111 S115 R116	V83-A118 HydrophobicContact CB-CB 4.39Å; V83-A118 HydrophobicContact CG1-CB 4.18Å; V83-A118 WeakPolarHBondContact O-CB 3.49Å; E84-A118 WeakPolarHBondContact O-CA 3.41Å; L111-A118 HydrophobicContact CD1-CB 3.67Å; L111-A118 HydrophobicContact CD2-CB 3.76Å; L111-A118 HydrophobicContact CG-CB 3.82Å; S115-A118 VanDerWaalsContact O-CB 3.25Å; S115-A118 WeakPolarHBondContact O-CB 3.42Å; S115-A118 PolarHBondContact O-N 3.21Å; S115-A118 VanDerWaalsContact O-N 3.14Å; R116-A118 VanDerWaalsContact C-N 3.3Å
119	H	97.2	Very high	97.1	Very high	83 Å²	83	46.9 Å²	46.9	38%	0.384	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	131	173.7	-63.2	-61.6	0	0	0	110.9	E84 V85 L86 D117 F121	E84-H119 PolarHBondContact O-N 2.81Å; V85-H119 CarbonylContact C-O 3.48Å; V85-H119 WeakPolarHBondContact CA-O 3.15Å; V85-H119 HydrophobicContact CG2-CB 4.17Å; L86-H119 PolarHBondContact N-O 3.37Å; D117-H119 PolarHBondContact O-N 2.85Å; H119-F121 HydrophobicContact CB-CD2 4.4Å; H119-F121 HydrophobicContact CB-CE2 3.85Å
120	V	98.4	Very high	97.2	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127	180	-177.1	0	0	0	0	110.4	L86 Y104 L108 L111 L153 C155 V156	L86-V120 HydrophobicContact CD2-CG1 4.49Å; Y104-V120 HydrophobicContact CE2-CG1 4.31Å; Y104-V120 WeakPolarHBondContact OH-CG1 3.45Å; L108-V120 HydrophobicContact CD2-CG1 4Å; L108-V120 HydrophobicContact CD2-CG2 4.06Å; L111-V120 HydrophobicContact CD2-CG2 3.75Å; V120-L153 HydrophobicContact CG2-CB 4.29Å; V120-L153 HydrophobicContact CG2-CD1 4.09Å; V120-C155 HydrophobicContact CB-CB 4.38Å; V120-C155 HydrophobicContact CG1-CB 4.24Å; V120-C155 WeakPolarHBondContact O-CA 3.38Å; V120-V156 PolarHBondContact O-N 3.2Å
121	F	98.8	Very high	97.2	Very high	3 Å²	3	48.9 Å²	48.9	1%	0.013	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129.9	174.2	-70	-91.5	0	0	0	109.9	V85 L86 I87 Y88 H119 V156 F158 I174 R177	V85-F121 HydrophobicContact CG1-CD2 3.81Å; V85-F121 HydrophobicContact CG1-CE2 4.21Å; V85-F121 HydrophobicContact CG2-CE2 4.41Å; L86-F121 PolarHBondContact O-N 2.93Å; I87-F121 CarbonylContact C-O 3.17Å; I87-F121 WeakPolarHBondContact CA-O 3.29Å; Y88-F121 PolarHBondContact N-O 3.34Å; H119-F121 HydrophobicContact CB-CD2 4.4Å; H119-F121 HydrophobicContact CB-CE2 3.85Å; F121-V156 CarbonylContact C-O 3.55Å; F121-V156 WeakPolarHBondContact CA-O 3.47Å; F121-V156 HydrophobicContact CD1-CB 3.82Å; F121-V156 HydrophobicContact CD1-CG1 4.31Å; F121-V156 HydrophobicContact CE1-CB 3.92Å; F121-V156 HydrophobicContact CE1-CG1 4.28Å; F121-V156 HydrophobicContact CE1-CG2 4.32Å; F121-F158 HydrophobicContact CD1-CD2 4.32Å; F121-F158 AromaticContact CD1-CE2 3.77Å; F121-F158 HydrophobicContact CD1-CE2 3.77Å; F121-F158 AromaticContact CE1-CE2 3.99Å; F121-F158 HydrophobicContact CE1-CE2 3.99Å; F121-I174 HydrophobicContact CB-CD1 4.33Å; F121-I174 HydrophobicContact CB-CG1 4.18Å; F121-I174 HydrophobicContact CD1-CD1 4.46Å; F121-I174 HydrophobicContact CD1-CG1 3.63Å; F121-I174 HydrophobicContact CD2-CG1 3.91Å; F121-I174 HydrophobicContact CE1-CG1 3.85Å; F121-I174 HydrophobicContact CE2-CG1 4.1Å; F121-I174 HydrophobicContact CG-CD1 4.31Å; F121-I174 HydrophobicContact CG-CG1 3.64Å; F121-I174 HydrophobicContact CZ-CG1 4.06Å; F121-R177 HydrophobicContact CE2-CG 4.37Å; F121-R177 HydrophobicContact CZ-CG 3.83Å
122	C	98.8	Very high	97.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124	174.5	-69.9	0	0	0	0	110.6	Y88 F90 Y104 L146 C155 V156 C157 F158	Y88-C122 CarbonylContact O-C 3.58Å; Y88-C122 WeakPolarHBondContact O-CA 3.49Å; F90-C122 HydrophobicContact CD2-CB 4.43Å; F90-C122 HydrophobicContact CE2-CB 4.1Å; Y104-C122 PolarHBondContact OH-SG 3.44Å; C122-L146 HydrophobicContact CB-CD1 3.9Å; C122-C155 PolarHBondContact SG-SG 2.9Å; C122-V156 PolarHBondContact N-O 3.4Å; C122-C157 CarbonylContact O-C 3.55Å; C122-C157 VanDerWaalsContact O-CA 3.25Å; C122-C157 WeakPolarHBondContact O-CA 3.4Å; C122-F158 PolarHBondContact O-N 3.14Å
123	L	98.8	Very high	97.2	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	110.8	177.6	-53.3	-172.1	0	0	0	108.8	M21 I87 Y88 F90 H125 F158 T160 A170	M21-L123 HydrophobicContact CE-CD1 3.93Å; M21-L123 HydrophobicContact SD-CD1 3.76Å; I87-L123 HydrophobicContact CG2-CD1 3.58Å; I87-L123 HydrophobicContact CG2-CG 3.8Å; Y88-L123 PolarHBondContact O-N 3.17Å; F90-L123 PolarHBondContact N-O 2.72Å; L123-H125 PolarHBondContact O-N 2.6Å; L123-F158 CarbonylContact C-O 3.52Å; L123-F158 WeakPolarHBondContact CA-O 3.26Å; L123-F158 HydrophobicContact CD2-CB 3.78Å; L123-F158 HydrophobicContact CD2-CD2 3.97Å; L123-F158 HydrophobicContact CD2-CG 4.32Å; L123-T160 HydrophobicContact CB-CG2 4.43Å; L123-T160 HydrophobicContact CD1-CG2 4.49Å; L123-T160 HydrophobicContact CD2-CG2 4.11Å; L123-A170 HydrophobicContact CD2-CB 3.83Å
124	I	98.8	Very high	97.4	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.015	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	97.8	168.4	-60.6	150.8	0	0	0	105.6	V92 M127 F139 R142 L146 F158 R159 T160	V92-I124 HydrophobicContact CB-CG2 4.23Å; V92-I124 HydrophobicContact CG2-CG2 4.19Å; I124-M127 HydrophobicContact CG2-CG 4.35Å; I124-M127 HydrophobicContact CG2-SD 3.83Å; I124-M127 VanDerWaalsContact O-CG 3.3Å; I124-M127 WeakPolarHBondContact O-CG 3.21Å; I124-F139 HydrophobicContact CD1-CD2 3.47Å; I124-F139 VanDerWaalsContact CD1-CD2 3.47Å; I124-F139 HydrophobicContact CD1-CE2 3.71Å; I124-R142 HydrophobicContact CD1-CB 3.51Å; I124-R142 HydrophobicContact CD1-CG 4.5Å; I124-R142 HydrophobicContact CG1-CB 4.06Å; I124-L146 HydrophobicContact CD1-CD1 4.23Å; I124-L146 HydrophobicContact CG1-CD1 4.12Å; I124-F158 PolarHBondContact N-O 3.03Å; I124-R159 WeakPolarHBondContact O-CA 3.39Å; I124-T160 PolarHBondContact O-N 3.32Å
125	H	98.8	Very high	97.5	Very high	4 Å²	4	58.9 Å²	58.9	2%	0.019	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	164.7	-165.5	-161.6	59.1	0	0	0	112.6	S16 M21 V89 F90 V92 L123 M127 T160	S16-H125 PolarHBondContact O-CD2 2.89Å; M21-H125 VanDerWaalsContact SD-CE1 3.53Å; V89-H125 HydrophobicContact CG1-CB 3.69Å; F90-H125 WeakPolarHBondContact O-CB 3.47Å; F90-H125 PolarHBondContact O-N 3.19Å; V92-H125 WeakPolarHBondContact CB-O 3.36Å; V92-H125 WeakPolarHBondContact CG1-O 3.37Å; V92-H125 PolarHBondContact N-O 3.36Å; L123-H125 PolarHBondContact O-N 2.6Å; H125-M127 VanDerWaalsContact C-N 3.3Å; H125-T160 CarbonylContact C-O 3.14Å; H125-T160 WeakPolarHBondContact CA-O 3.37Å; H125-T160 WeakPolarHBondContact CA-OG1 3.39Å; H125-T160 PolarHBondContact ND1-O 3.33Å; H125-T160 PolarHBondContact ND1-OG1 3.19Å
126	K	98.6	Very high	97.5	Very high	53 Å²	53	62.1 Å²	62.1	23%	0.23	29%	0.294	C	S	.	.			trans	62	33	-174.3	-49.7	-172.2	-171.1	166.9	0	114	G15 D91 V92 D128 L129 T160	G15-K126 WeakPolarHBondContact O-CE 3.31Å; G15-K126 PolarHBondContact O-NZ 3.12Å; D91-K126 IonicContact OD1-NZ 2.77Å; D91-K126 WeakPolarHBondContact OD2-CE 3.15Å; D91-K126 IonicContact OD2-NZ 3.21Å; D91-K126 PolarHBondContact OD2-NZ 2.66Å; V92-K126 HydrophobicContact CG1-CB 4.27Å; V92-K126 VanDerWaalsContact CG1-O 3.26Å; V92-K126 WeakPolarHBondContact CG1-O 3.21Å; K126-D128 VanDerWaalsContact C-OD1 3.24Å; K126-D128 VanDerWaalsContact CA-OD1 3.32Å; K126-D128 WeakPolarHBondContact CA-OD1 3.39Å; K126-D128 PolarHBondContact O-N 3.12Å; K126-L129 HydrophobicContact CB-CD1 3.81Å; K126-L129 HydrophobicContact CB-CG 4.24Å; K126-L129 HydrophobicContact CD-CD1 4.02Å; K126-L129 WeakPolarHBondContact O-CB 3.42Å; K126-L129 WeakPolarHBondContact O-CG 3.18Å; K126-L129 PolarHBondContact O-N 3.15Å; K126-T160 PolarHBondContact N-O 2.91Å
127	M	98.5	Very high	97.8	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.02	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-63.4	-12.3	-179.7	-75.5	-70.2	-62.1	0	0	113.9	V92 I124 H125 L129 V130 R135 F139 R159 T160	V92-M127 HydrophobicContact CB-SD 4.12Å; V92-M127 HydrophobicContact CG1-SD 4.47Å; V92-M127 HydrophobicContact CG2-SD 3.68Å; I124-M127 HydrophobicContact CG2-CG 4.35Å; I124-M127 HydrophobicContact CG2-SD 3.83Å; I124-M127 VanDerWaalsContact O-CG 3.3Å; I124-M127 WeakPolarHBondContact O-CG 3.21Å; H125-M127 VanDerWaalsContact C-N 3.3Å; M127-L129 PolarHBondContact O-N 3.25Å; M127-V130 PolarHBondContact O-N 2.95Å; M127-V130 HydrophobicContact SD-CG2 4.28Å; M127-R135 HydrophobicContact CE-CB 3.68Å; M127-R135 HydrophobicContact CE-CG 3.89Å; M127-R135 VanDerWaalsContact CE-O 3.26Å; M127-R135 WeakPolarHBondContact CE-O 3.48Å; M127-R135 PolarHBondContact O-NE 3.15Å; M127-F139 HydrophobicContact CE-CB 4.4Å; M127-R159 HydrophobicContact CE-CB 4.28Å; M127-R159 HydrophobicContact CG-CB 3.82Å; M127-T160 PolarHBondContact N-O 3.35Å
128	D	98.1	Very high	98	Very high	44 Å²	44	50.3 Å²	50.3	24%	0.235	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-59.4	-26.3	168	51.5	-71.2	0	0	0	113.6	K126 V130 R135 S161 W163	K126-D128 VanDerWaalsContact C-OD1 3.24Å; K126-D128 VanDerWaalsContact CA-OD1 3.32Å; K126-D128 WeakPolarHBondContact CA-OD1 3.39Å; K126-D128 PolarHBondContact O-N 3.12Å; D128-V130 VanDerWaalsContact C-N 3.32Å; D128-R135 PolarHBondContact O-NH2 3.02Å; D128-S161 WeakPolarHBondContact CB-OG 3.42Å; D128-S161 VanDerWaalsContact CG-OG 3.22Å; D128-S161 WeakPolarHBondContact OD1-CB 3.4Å; D128-S161 PolarHBondContact OD1-OG 3.49Å; D128-W163 PolarHBondContact OD2-NE1 3.21Å
129	L	98.1	Very high	98	Very high	82 Å²	82	51 Å²	51	43%	0.429	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-80.9	-14.2	-179.7	-54.6	178.1	0	0	0	112.8	E93 K126 M127	E93-L129 VanDerWaalsContact CD-CD1 3.43Å; E93-L129 HydrophobicContact CG-CB 4.04Å; E93-L129 HydrophobicContact CG-CD1 3.91Å; E93-L129 WeakPolarHBondContact OE2-CD1 3.18Å; K126-L129 HydrophobicContact CB-CD1 3.81Å; K126-L129 HydrophobicContact CB-CG 4.24Å; K126-L129 HydrophobicContact CD-CD1 4.02Å; K126-L129 WeakPolarHBondContact O-CB 3.42Å; K126-L129 WeakPolarHBondContact O-CG 3.18Å; K126-L129 PolarHBondContact O-N 3.15Å; M127-L129 PolarHBondContact O-N 3.25Å
130	V	98	Very high	98.1	Very high	24 Å²	24	51 Å²	51	15%	0.145	26%	0.256	C	S	.	.	S	Bend	trans	-91.2	132	172.5	-177.8	0	0	0	0	109.2	V92 M127 D128 H134 R135 V138	V92-V130 HydrophobicContact CB-CG2 4.4Å; V92-V130 HydrophobicContact CG1-CG2 3.89Å; V92-V130 HydrophobicContact CG2-CG2 3.6Å; M127-V130 PolarHBondContact O-N 2.95Å; M127-V130 HydrophobicContact SD-CG2 4.28Å; D128-V130 VanDerWaalsContact C-N 3.32Å; V130-H134 HydrophobicContact CG1-CB 3.97Å; V130-R135 HydrophobicContact CB-CG 4.04Å; V130-R135 HydrophobicContact CG1-CG 4.01Å; V130-R135 PolarHBondContact O-NE 3.27Å; V130-R135 PolarHBondContact O-NH2 3.25Å; V130-V138 HydrophobicContact CG1-CG2 4.11Å
131	H	97.4	Very high	98.1	Very high	119 Å²	119	55.5 Å²	55.5	55%	0.551	28%	0.277	S	S	*	.			trans	-55.3	138.6	174.4	-167.8	-87.6	0	0	0	110.9	D133 H134 R135	H131-D133 VanDerWaalsContact C-N 3.31Å; H131-D133 IonicContact CE1-OD2 2.67Å; H131-D133 PolarHBondContact CE1-OD2 2.89Å; H131-D133 IonicContact ND1-OD2 3.49Å; H131-D133 PolarHBondContact ND1-OD2 3.15Å; H131-D133 PolarHBondContact O-N 2.76Å; H131-H134 PolarHBondContact O-N 3.21Å; H131-R135 PolarHBondContact O-N 2.67Å
132	E	96.2	Very high	98	Very high	147 Å²	147	58 Å²	58	69%	0.687	29%	0.286	S	S	*	.	H	α-helix	trans	-52.6	-45.8	-169.5	-169.5	171.2	175.4	0	0	112.9	H134 R135	E132-H134 PolarHBondContact O-N 2.82Å; E132-H134 VanDerWaalsContact O-N 3.1Å; E132-R135 WeakPolarHBondContact O-CB 3.38Å; E132-R135 PolarHBondContact O-N 2.67Å; E132-R135 VanDerWaalsContact O-N 3.15Å
133	D	97.2	Very high	98	Very high	129 Å²	129	60.8 Å²	60.8	69%	0.69	30%	0.299	S	S	*	.	H	α-helix	trans	-59.6	-21.8	178.6	-60.7	-29.3	0	0	0	114.5	H131	H131-D133 VanDerWaalsContact C-N 3.31Å; H131-D133 IonicContact CE1-OD2 2.67Å; H131-D133 PolarHBondContact CE1-OD2 2.89Å; H131-D133 IonicContact ND1-OD2 3.49Å; H131-D133 PolarHBondContact ND1-OD2 3.15Å; H131-D133 PolarHBondContact O-N 2.76Å
134	H	97.4	Very high	98	Very high	114 Å²	114	68 Å²	68	53%	0.528	33%	0.327	S	S	.	.	H	α-helix	trans	-103.4	-11.3	-178.3	-61.9	-46.1	0	0	0	113.4	V130 H131 E132 E136 A137 V138	V130-H134 HydrophobicContact CG1-CB 3.97Å; H131-H134 PolarHBondContact O-N 3.21Å; E132-H134 PolarHBondContact O-N 2.82Å; E132-H134 VanDerWaalsContact O-N 3.1Å; H134-E136 VanDerWaalsContact C-N 3.29Å; H134-E136 PolarHBondContact O-N 3.09Å; H134-A137 PolarHBondContact O-N 3.03Å; H134-V138 WeakPolarHBondContact O-CG2 3.43Å; H134-V138 PolarHBondContact O-N 3.14Å
135	R	97.8	Very high	97.9	Very high	61 Å²	61	70.7 Å²	70.7	23%	0.23	34%	0.341	C	S	.	.	H	α-helix	trans	-58.9	-38.6	-174.2	-72.5	-179.3	-177.3	173.7	1	113.1	M127 D128 V130 H131 E132 F139	M127-R135 HydrophobicContact CE-CB 3.68Å; M127-R135 HydrophobicContact CE-CG 3.89Å; M127-R135 VanDerWaalsContact CE-O 3.26Å; M127-R135 WeakPolarHBondContact CE-O 3.48Å; M127-R135 PolarHBondContact O-NE 3.15Å; D128-R135 PolarHBondContact O-NH2 3.02Å; V130-R135 HydrophobicContact CB-CG 4.04Å; V130-R135 HydrophobicContact CG1-CG 4.01Å; V130-R135 PolarHBondContact O-NE 3.27Å; V130-R135 PolarHBondContact O-NH2 3.25Å; H131-R135 PolarHBondContact O-N 2.67Å; E132-R135 WeakPolarHBondContact O-CB 3.38Å; E132-R135 PolarHBondContact O-N 2.67Å; E132-R135 VanDerWaalsContact O-N 3.15Å; R135-F139 WeakPolarHBondContact O-CB 3.29Å; R135-F139 PolarHBondContact O-N 2.89Å
136	E	97.6	Very high	97.9	Very high	80 Å²	80	70.6 Å²	70.6	37%	0.374	34%	0.341	S	S	.	.	H	α-helix	trans	-68.8	-47.5	179.5	-172.5	61.2	-150	0	0	111.6	H134 V138 F139 Q140 R159	H134-E136 VanDerWaalsContact C-N 3.29Å; H134-E136 PolarHBondContact O-N 3.09Å; E136-V138 PolarHBondContact O-N 2.9Å; E136-F139 PolarHBondContact O-N 3.3Å; E136-Q140 HydrophobicContact CG-CG 4.48Å; E136-Q140 WeakPolarHBondContact O-CB 3.48Å; E136-Q140 WeakPolarHBondContact O-CG 3.2Å; E136-Q140 PolarHBondContact O-N 3.48Å; E136-Q140 PolarHBondContact OE1-NE2 2.91Å; E136-R159 IonicContact OE2-CZ 3.16Å; E136-R159 VanDerWaalsContact OE2-CZ 3.3Å; E136-R159 IonicContact OE2-NH1 2.89Å; E136-R159 PolarHBondContact OE2-NH1 2.8Å; E136-R159 IonicContact OE2-NH2 3.91Å; E136-R159 PolarHBondContact OE2-NH2 2.83Å; E136-R159 VanDerWaalsContact OE2-NH2 3.15Å
137	A	98.2	Very high	97.8	Very high	59 Å²	59	71.4 Å²	71.4	49%	0.488	35%	0.347	S	S	.	.	H	α-helix	trans	-61.1	-48.2	179.8	0	0	0	0	0	111.7	H134 F139 Q140 E141	H134-A137 PolarHBondContact O-N 3.03Å; A137-F139 PolarHBondContact O-N 3.24Å; A137-Q140 PolarHBondContact O-N 3.32Å; A137-E141 WeakPolarHBondContact O-CB 3.47Å; A137-E141 PolarHBondContact O-N 3Å
138	V	98	Very high	97.8	Very high	38 Å²	38	78.7 Å²	78.7	23%	0.23	38%	0.379	C	S	.	.	H	α-helix	trans	-61.3	-44	177.4	173.8	0	0	0	0	111	V92 V130 H134 E136 R142	V92-V138 HydrophobicContact CG2-CG1 3.75Å; V130-V138 HydrophobicContact CG1-CG2 4.11Å; H134-V138 WeakPolarHBondContact O-CG2 3.43Å; H134-V138 PolarHBondContact O-N 3.14Å; E136-V138 PolarHBondContact O-N 2.9Å; V138-R142 HydrophobicContact CG1-CG 4.47Å; V138-R142 VanDerWaalsContact O-CG 3.28Å; V138-R142 WeakPolarHBondContact O-CG 3.34Å; V138-R142 PolarHBondContact O-N 3.13Å; V138-R142 VanDerWaalsContact O-N 3.1Å
139	F	98.5	Very high	97.8	Very high	22 Å²	22	78.7 Å²	78.7	10%	0.096	38%	0.378	C	S	.	.	H	α-helix	trans	-62.4	-47.6	178.2	174.3	-105.9	0	0	0	112	I124 M127 R135 E136 A137 E141 R142 Q143 C157 F158 R159	I124-F139 HydrophobicContact CD1-CD2 3.47Å; I124-F139 VanDerWaalsContact CD1-CD2 3.47Å; I124-F139 HydrophobicContact CD1-CE2 3.71Å; M127-F139 HydrophobicContact CE-CB 4.4Å; R135-F139 WeakPolarHBondContact O-CB 3.29Å; R135-F139 PolarHBondContact O-N 2.89Å; E136-F139 PolarHBondContact O-N 3.3Å; A137-F139 PolarHBondContact O-N 3.24Å; F139-E141 VanDerWaalsContact C-N 3.35Å; F139-E141 PolarHBondContact O-N 3.26Å; F139-R142 PolarHBondContact O-N 2.98Å; F139-Q143 HydrophobicContact CZ-CB 4.48Å; F139-Q143 WeakPolarHBondContact O-CB 3.4Å; F139-Q143 PolarHBondContact O-N 3.07Å; F139-C157 HydrophobicContact CE2-CB 4.1Å; F139-C157 HydrophobicContact CZ-CB 4.1Å; F139-F158 VanDerWaalsContact CE2-C 3.45Å; F139-R159 HydrophobicContact CD2-CB 3.68Å; F139-R159 HydrophobicContact CD2-CG 4.24Å; F139-R159 HydrophobicContact CE2-CB 4.16Å; F139-R159 HydrophobicContact CG-CB 4.19Å; F139-R159 HydrophobicContact CG-CG 4.43Å
140	Q	98.3	Very high	97.7	Very high	83 Å²	83	74.9 Å²	74.9	39%	0.388	36%	0.359	S	S	.	.	H	α-helix	trans	-63.4	-40.1	-179.5	-73.1	-179.3	4.6	0	0	112.3	E136 A137 Q143 R144	E136-Q140 HydrophobicContact CG-CG 4.48Å; E136-Q140 WeakPolarHBondContact O-CB 3.48Å; E136-Q140 WeakPolarHBondContact O-CG 3.2Å; E136-Q140 PolarHBondContact O-N 3.48Å; E136-Q140 PolarHBondContact OE1-NE2 2.91Å; A137-Q140 PolarHBondContact O-N 3.32Å; Q140-Q143 PolarHBondContact O-N 3.45Å; Q140-R144 WeakPolarHBondContact O-CG 3.3Å; Q140-R144 PolarHBondContact O-N 3.05Å
141	E	97.7	Very high	97.6	Very high	96 Å²	96	80.8 Å²	80.8	45%	0.449	39%	0.385	S	S	.	.	H	α-helix	trans	-59.5	-56	175.1	-175.4	-176.4	160.3	0	0	111.2	A137 F139 Q143 R144 D145	A137-E141 WeakPolarHBondContact O-CB 3.47Å; A137-E141 PolarHBondContact O-N 3Å; F139-E141 VanDerWaalsContact C-N 3.35Å; F139-E141 PolarHBondContact O-N 3.26Å; E141-Q143 VanDerWaalsContact C-N 3.29Å; E141-Q143 PolarHBondContact O-N 2.8Å; E141-R144 PolarHBondContact O-N 3.29Å; E141-D145 PolarHBondContact O-N 2.74Å
142	R	97.7	Very high	97.4	Very high	56 Å²	56	79.8 Å²	79.8	21%	0.211	39%	0.389	C	S	.	.	H	α-helix	trans	-60.3	-39.3	178.5	-64.1	-60.1	-175.2	-161.1	-0.5	112.2	Y101 I124 V138 F139 D145 L146	Y101-R142 WeakPolarHBondContact OH-CD 3.09Å; Y101-R142 PolarHBondContact OH-NH1 3.19Å; I124-R142 HydrophobicContact CD1-CB 3.51Å; I124-R142 HydrophobicContact CD1-CG 4.5Å; I124-R142 HydrophobicContact CG1-CB 4.06Å; V138-R142 HydrophobicContact CG1-CG 4.47Å; V138-R142 VanDerWaalsContact O-CG 3.28Å; V138-R142 WeakPolarHBondContact O-CG 3.34Å; V138-R142 PolarHBondContact O-N 3.13Å; V138-R142 VanDerWaalsContact O-N 3.1Å; F139-R142 PolarHBondContact O-N 2.98Å; R142-D145 PolarHBondContact O-N 3.37Å; R142-L146 WeakPolarHBondContact O-CB 3.39Å; R142-L146 WeakPolarHBondContact O-CG 3.37Å; R142-L146 PolarHBondContact O-N 3.04Å
143	Q	98.3	Very high	97.2	Very high	58 Å²	58	74 Å²	74	27%	0.271	36%	0.362	S	S	.	.	H	α-helix	trans	-61.9	-44.2	177.9	178.5	176.7	28.8	0	0	111.5	F139 Q140 E141 D145 L146 L147 C157	F139-Q143 HydrophobicContact CZ-CB 4.48Å; F139-Q143 WeakPolarHBondContact O-CB 3.4Å; F139-Q143 PolarHBondContact O-N 3.07Å; Q140-Q143 PolarHBondContact O-N 3.45Å; E141-Q143 VanDerWaalsContact C-N 3.29Å; E141-Q143 PolarHBondContact O-N 2.8Å; Q143-D145 VanDerWaalsContact C-N 3.33Å; Q143-D145 PolarHBondContact O-N 3.44Å; Q143-L146 PolarHBondContact O-N 3.45Å; Q143-L147 HydrophobicContact CG-CD1 3.84Å; Q143-L147 HydrophobicContact CG-CG 4.17Å; Q143-L147 WeakPolarHBondContact O-CB 3.44Å; Q143-L147 VanDerWaalsContact O-CG 3.22Å; Q143-L147 WeakPolarHBondContact O-CG 3.43Å; Q143-L147 PolarHBondContact O-N 3.4Å; Q143-C157 HydrophobicContact CB-CB 4.3Å; Q143-C157 HydrophobicContact CG-CB 3.89Å
144	R	98	Very high	96.9	Very high	153 Å²	153	74.9 Å²	74.9	58%	0.577	37%	0.367	S	S	*	.	H	α-helix	trans	-58.8	-45.5	177.6	-75.1	-174.6	-55.8	-114.1	3	111.6	Q140 E141 K148	Q140-R144 WeakPolarHBondContact O-CG 3.3Å; Q140-R144 PolarHBondContact O-N 3.05Å; E141-R144 PolarHBondContact O-N 3.29Å; R144-K148 PolarHBondContact O-N 3.1Å
145	D	97.7	Very high	96.9	Very high	59 Å²	59	70.2 Å²	70.2	32%	0.316	35%	0.347	S	S	.	.	H	α-helix	trans	-64.4	-47.3	179.6	-64.7	-20.5	0	0	0	111.2	Y101 E141 R142 Q143 L147 K148 L149	Y101-D145 HydrophobicContact CE2-CB 4.24Å; E141-D145 PolarHBondContact O-N 2.74Å; R142-D145 PolarHBondContact O-N 3.37Å; Q143-D145 VanDerWaalsContact C-N 3.33Å; Q143-D145 PolarHBondContact O-N 3.44Å; D145-L147 PolarHBondContact O-N 2.93Å; D145-K148 PolarHBondContact O-N 3.42Å; D145-L149 WeakPolarHBondContact O-CB 3.28Å; D145-L149 VanDerWaalsContact O-CG 3.25Å; D145-L149 WeakPolarHBondContact O-CG 3.45Å; D145-L149 PolarHBondContact O-N 3.44Å
146	L	98.3	Very high	96.9	Very high	1 Å²	1	70 Å²	70	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-65	-40.9	-178.5	-69	172.8	0	0	0	112.5	F90 Y101 Y104 C122 I124 R142 Q143 K148 L149 S150	F90-L146 HydrophobicContact CD2-CD1 3.94Å; F90-L146 HydrophobicContact CD2-CD2 4.18Å; F90-L146 HydrophobicContact CE1-CD2 4.03Å; F90-L146 HydrophobicContact CE2-CD1 3.85Å; F90-L146 HydrophobicContact CE2-CD2 3.41Å; F90-L146 VanDerWaalsContact CE2-CD2 3.41Å; F90-L146 HydrophobicContact CE2-CG 4.29Å; F90-L146 HydrophobicContact CZ-CD2 3.32Å; Y101-L146 HydrophobicContact CD1-CD2 4.11Å; Y101-L146 HydrophobicContact CE1-CD2 3.76Å; Y101-L146 HydrophobicContact CE1-CG 4.42Å; Y104-L146 HydrophobicContact CD1-CD2 4.05Å; Y104-L146 HydrophobicContact CE1-CD2 4Å; C122-L146 HydrophobicContact CB-CD1 3.9Å; I124-L146 HydrophobicContact CD1-CD1 4.23Å; I124-L146 HydrophobicContact CG1-CD1 4.12Å; R142-L146 WeakPolarHBondContact O-CB 3.39Å; R142-L146 WeakPolarHBondContact O-CG 3.37Å; R142-L146 PolarHBondContact O-N 3.04Å; Q143-L146 PolarHBondContact O-N 3.45Å; L146-K148 VanDerWaalsContact C-N 3.33Å; L146-K148 PolarHBondContact O-N 2.92Å; L146-L149 PolarHBondContact O-N 2.84Å; L146-S150 WeakPolarHBondContact O-CB 3.34Å; L146-S150 PolarHBondContact O-N 3.03Å; L146-S150 PolarHBondContact O-OG 3.07Å
147	L	98	Very high	96.9	Very high	71 Å²	71	66.7 Å²	66.7	37%	0.372	34%	0.338	S	S	.	.	H	α-helix	trans	-60.6	-44	175.5	-71.9	176	0	0	0	111.1	Q143 D145 S150 C155	Q143-L147 HydrophobicContact CG-CD1 3.84Å; Q143-L147 HydrophobicContact CG-CG 4.17Å; Q143-L147 WeakPolarHBondContact O-CB 3.44Å; Q143-L147 VanDerWaalsContact O-CG 3.22Å; Q143-L147 WeakPolarHBondContact O-CG 3.43Å; Q143-L147 PolarHBondContact O-N 3.4Å; D145-L147 PolarHBondContact O-N 2.93Å; L147-S150 WeakPolarHBondContact O-CB 3.46Å; L147-S150 PolarHBondContact O-N 3.45Å; L147-C155 HydrophobicContact CD2-CB 4.24Å; L147-C155 VanDerWaalsContact CD2-O 3.26Å; L147-C155 WeakPolarHBondContact CD2-O 3.26Å
148	K	97.5	Very high	97	Very high	157 Å²	157	65.1 Å²	65.1	68%	0.683	32%	0.32	S	S	*	.	H	α-helix	trans	-64	-43.7	176.6	-176	-178.9	178.4	-176.2	0	112.3	R144 D145 L146 S150 E151	R144-K148 PolarHBondContact O-N 3.1Å; D145-K148 PolarHBondContact O-N 3.42Å; L146-K148 VanDerWaalsContact C-N 3.33Å; L146-K148 PolarHBondContact O-N 2.92Å; K148-S150 PolarHBondContact O-N 3.16Å; K148-E151 PolarHBondContact O-N 3.17Å
149	L	97.4	Very high	97	Very high	43 Å²	43	67 Å²	67	23%	0.225	32%	0.323	C	S	.	.	H	α-helix	trans	-67.6	-23.3	177.8	-68.3	169.2	0	0	0	112.8	Y101 Y104 Q105 L108 D145 L146	Y101-L149 HydrophobicContact CD1-CD1 3.88Å; Y101-L149 HydrophobicContact CD2-CD1 3.83Å; Y101-L149 HydrophobicContact CE1-CD1 4.38Å; Y101-L149 HydrophobicContact CE2-CD1 4.34Å; Y101-L149 HydrophobicContact CG-CD1 3.58Å; Y104-L149 HydrophobicContact CD1-CB 4.43Å; Y104-L149 HydrophobicContact CE1-CB 4.3Å; Q105-L149 HydrophobicContact CG-CD2 4.16Å; L108-L149 VanDerWaalsContact CD1-O 3.32Å; L108-L149 WeakPolarHBondContact CD1-O 3.46Å; D145-L149 WeakPolarHBondContact O-CB 3.28Å; D145-L149 VanDerWaalsContact O-CG 3.25Å; D145-L149 WeakPolarHBondContact O-CG 3.45Å; D145-L149 PolarHBondContact O-N 3.44Å; L146-L149 PolarHBondContact O-N 2.84Å
150	S	97.1	Very high	97	Very high	2 Å²	2	66 Å²	66	1%	0.014	32%	0.319	C	S	.	.	H	α-helix	trans	-78.5	-21.3	-178.7	-59.7	0	0	0	0	113.9	Y104 L146 L147 K148 L153 C155	Y104-S150 PolarHBondContact OH-OG 2.63Å; L146-S150 WeakPolarHBondContact O-CB 3.34Å; L146-S150 PolarHBondContact O-N 3.03Å; L146-S150 PolarHBondContact O-OG 3.07Å; L147-S150 WeakPolarHBondContact O-CB 3.46Å; L147-S150 PolarHBondContact O-N 3.45Å; K148-S150 PolarHBondContact O-N 3.16Å; S150-L153 WeakPolarHBondContact O-CA 3.4Å; S150-L153 WeakPolarHBondContact O-CB 3.21Å; S150-L153 PolarHBondContact O-N 3.23Å; S150-C155 VanDerWaalsContact CB-CB 3.49Å; S150-C155 WeakPolarHBondContact OG-CB 3.17Å
151	E	94.6	Very high	97	Very high	148 Å²	148	62 Å²	62	69%	0.692	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	133.9	-175.9	-69.1	-178.6	-176.2	0	0	111.3	K148	K148-E151 PolarHBondContact O-N 3.17Å
152	P	93.6	Very high	97	Very high	98 Å²	98	58.8 Å²	58.8	64%	0.636	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	cis	-91.9	7.6	9.8	37.6	-37.6	0	0	0	115.3	M112	M112-P152 HydrophobicContact CE-CG 3.61Å; M112-P152 HydrophobicContact SD-CG 4.28Å
153	L	92.5	Very high	97	Very high	25 Å²	25	62.1 Å²	62.1	13%	0.131	30%	0.298	C	S	.	.	S	Bend	trans	-76.7	143.2	179.6	-63.4	171.7	0	0	0	111.3	L108 L111 M112 V120 S150 C155	L108-L153 HydrophobicContact CB-CD1 4.38Å; L108-L153 HydrophobicContact CD2-CD1 3.88Å; L111-L153 HydrophobicContact CD2-CD1 4.26Å; M112-L153 HydrophobicContact CG-CD1 3.7Å; M112-L153 HydrophobicContact CG-CD2 4.1Å; M112-L153 HydrophobicContact CG-CG 3.93Å; M112-L153 HydrophobicContact SD-CD1 4.41Å; M112-L153 HydrophobicContact SD-CG 4.36Å; V120-L153 HydrophobicContact CG2-CB 4.29Å; V120-L153 HydrophobicContact CG2-CD1 4.09Å; S150-L153 WeakPolarHBondContact O-CA 3.4Å; S150-L153 WeakPolarHBondContact O-CB 3.21Å; S150-L153 PolarHBondContact O-N 3.23Å; L153-C155 PolarHBondContact O-N 3.46Å
154	N	90.9	Very high	96.9	Very high	149 Å²	149	61 Å²	61	80%	0.797	29%	0.294	S	S	*	.			trans	-74.6	122.4	171.7	-71.7	-43.4	0	0	0	110
155	C	96.6	Very high	96.8	Very high	16 Å²	16	56.1 Å²	56.1	11%	0.108	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	137.2	178.5	177	0	0	0	0	111.5	V120 C122 L147 S150 L153	V120-C155 HydrophobicContact CB-CB 4.38Å; V120-C155 HydrophobicContact CG1-CB 4.24Å; V120-C155 WeakPolarHBondContact O-CA 3.38Å; C122-C155 PolarHBondContact SG-SG 2.9Å; L147-C155 HydrophobicContact CD2-CB 4.24Å; L147-C155 VanDerWaalsContact CD2-O 3.26Å; L147-C155 WeakPolarHBondContact CD2-O 3.26Å; S150-C155 VanDerWaalsContact CB-CB 3.49Å; S150-C155 WeakPolarHBondContact OG-CB 3.17Å; L153-C155 PolarHBondContact O-N 3.46Å
156	V	98.2	Very high	96.8	Very high	57 Å²	57	54.6 Å²	54.6	35%	0.345	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.8	172.3	-176.6	0	0	0	0	109.4	V120 F121 C122 F158	V120-V156 PolarHBondContact O-N 3.2Å; F121-V156 CarbonylContact C-O 3.55Å; F121-V156 WeakPolarHBondContact CA-O 3.47Å; F121-V156 HydrophobicContact CD1-CB 3.82Å; F121-V156 HydrophobicContact CD1-CG1 4.31Å; F121-V156 HydrophobicContact CE1-CB 3.92Å; F121-V156 HydrophobicContact CE1-CG1 4.28Å; F121-V156 HydrophobicContact CE1-CG2 4.32Å; C122-V156 PolarHBondContact N-O 3.4Å; V156-F158 HydrophobicContact CB-CE2 4.43Å; V156-F158 HydrophobicContact CG1-CD2 4.28Å; V156-F158 HydrophobicContact CG1-CE2 3.54Å; V156-F158 HydrophobicContact CG1-CZ 3.79Å
157	C	98.6	Very high	96.8	Very high	9 Å²	9	54.6 Å²	54.6	6%	0.061	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	141.6	-179.5	-65.3	0	0	0	0	111.9	C122 F139 Q143	C122-C157 CarbonylContact O-C 3.55Å; C122-C157 VanDerWaalsContact O-CA 3.25Å; C122-C157 WeakPolarHBondContact O-CA 3.4Å; F139-C157 HydrophobicContact CE2-CB 4.1Å; F139-C157 HydrophobicContact CZ-CB 4.1Å; Q143-C157 HydrophobicContact CB-CB 4.3Å; Q143-C157 HydrophobicContact CG-CB 3.89Å
158	F	98.7	Very high	96.8	Very high	26 Å²	26	51.4 Å²	51.4	11%	0.114	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	137.8	170.2	-66.3	-83.2	0	0	0	110.8	F121 C122 L123 I124 F139 V156 T160 K169 A170 S173	F121-F158 HydrophobicContact CD1-CD2 4.32Å; F121-F158 AromaticContact CD1-CE2 3.77Å; F121-F158 HydrophobicContact CD1-CE2 3.77Å; F121-F158 AromaticContact CE1-CE2 3.99Å; F121-F158 HydrophobicContact CE1-CE2 3.99Å; C122-F158 PolarHBondContact O-N 3.14Å; L123-F158 CarbonylContact C-O 3.52Å; L123-F158 WeakPolarHBondContact CA-O 3.26Å; L123-F158 HydrophobicContact CD2-CB 3.78Å; L123-F158 HydrophobicContact CD2-CD2 3.97Å; L123-F158 HydrophobicContact CD2-CG 4.32Å; I124-F158 PolarHBondContact N-O 3.03Å; F139-F158 VanDerWaalsContact CE2-C 3.45Å; V156-F158 HydrophobicContact CB-CE2 4.43Å; V156-F158 HydrophobicContact CG1-CD2 4.28Å; V156-F158 HydrophobicContact CG1-CE2 3.54Å; V156-F158 HydrophobicContact CG1-CZ 3.79Å; F158-T160 HydrophobicContact CB-CG2 4.04Å; F158-K169 HydrophobicContact CE1-CG 4.44Å; F158-A170 HydrophobicContact CB-CB 3.85Å; F158-A170 HydrophobicContact CD1-CB 4.23Å; F158-A170 HydrophobicContact CD2-CB 3.97Å; F158-A170 HydrophobicContact CG-CB 3.75Å; F158-S173 VanDerWaalsContact CZ-CB 3.43Å; F158-S173 WeakPolarHBondContact CZ-OG 3.32Å
159	R	98.2	Very high	96.8	Very high	78 Å²	78	47.8 Å²	47.8	29%	0.294	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	133.9	158.3	52.2	173.4	176.6	-139.6	-5.8	108.6	I124 M127 E136 F139 T166	I124-R159 WeakPolarHBondContact O-CA 3.39Å; M127-R159 HydrophobicContact CE-CB 4.28Å; M127-R159 HydrophobicContact CG-CB 3.82Å; E136-R159 IonicContact OE2-CZ 3.16Å; E136-R159 VanDerWaalsContact OE2-CZ 3.3Å; E136-R159 IonicContact OE2-NH1 2.89Å; E136-R159 PolarHBondContact OE2-NH1 2.8Å; E136-R159 IonicContact OE2-NH2 3.91Å; E136-R159 PolarHBondContact OE2-NH2 2.83Å; E136-R159 VanDerWaalsContact OE2-NH2 3.15Å; F139-R159 HydrophobicContact CD2-CB 3.68Å; F139-R159 HydrophobicContact CD2-CG 4.24Å; F139-R159 HydrophobicContact CE2-CB 4.16Å; F139-R159 HydrophobicContact CG-CB 4.19Å; F139-R159 HydrophobicContact CG-CG 4.43Å; R159-T166 WeakPolarHBondContact O-CB 3.46Å
160	T	98.7	Very high	96.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	147	-177.7	54.6	0	0	0	0	112.2	L123 I124 H125 K126 M127 F158 T166 A170	L123-T160 HydrophobicContact CB-CG2 4.43Å; L123-T160 HydrophobicContact CD1-CG2 4.49Å; L123-T160 HydrophobicContact CD2-CG2 4.11Å; I124-T160 PolarHBondContact O-N 3.32Å; H125-T160 CarbonylContact C-O 3.14Å; H125-T160 WeakPolarHBondContact CA-O 3.37Å; H125-T160 WeakPolarHBondContact CA-OG1 3.39Å; H125-T160 PolarHBondContact ND1-O 3.33Å; H125-T160 PolarHBondContact ND1-OG1 3.19Å; K126-T160 PolarHBondContact N-O 2.91Å; M127-T160 PolarHBondContact N-O 3.35Å; F158-T160 HydrophobicContact CB-CG2 4.04Å; T160-T166 VanDerWaalsContact CA-OG1 3.28Å; T160-T166 WeakPolarHBondContact CA-OG1 3.46Å; T160-A170 HydrophobicContact CG2-CB 3.57Å
161	S	98.5	Very high	96.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.227	C	C	.	.			trans	-139.8	148.5	166.5	-179.5	0	0	0	0	109.8	D128 W163 T166 L167	D128-S161 WeakPolarHBondContact CB-OG 3.42Å; D128-S161 VanDerWaalsContact CG-OG 3.22Å; D128-S161 WeakPolarHBondContact OD1-CB 3.4Å; D128-S161 PolarHBondContact OD1-OG 3.49Å; S161-W163 PolarHBondContact O-N 3.05Å; S161-W163 PolarHBondContact OG-N 3.17Å; S161-W163 VanDerWaalsContact OG-N 3.11Å; S161-T166 PolarHBondContact N-OG1 3.16Å; S161-L167 WeakPolarHBondContact O-CB 3.43Å
162	I	98.1	Very high	97	Very high	28 Å²	28	39.5 Å²	39.5	14%	0.144	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-10.3	170.5	62.6	170	0	0	0	113	M21 I24 A31 L167	M21-I162 HydrophobicContact CG-CG2 4.43Å; I24-I162 HydrophobicContact CD1-CB 3.51Å; I24-I162 HydrophobicContact CD1-CG2 3.55Å; A31-I162 HydrophobicContact CB-CB 4.36Å; A31-I162 HydrophobicContact CB-CD1 4.07Å; A31-I162 HydrophobicContact CB-CG1 4.16Å; A31-I162 WeakPolarHBondContact CB-O 3.45Å; I162-L167 HydrophobicContact CG2-CD2 4.41Å
163	W	97.1	Very high	97.2	Very high	127 Å²	127	36.5 Å²	36.5	48%	0.481	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-5.8	-174.6	-59.7	102.1	0	0	0	113.7	A31 D128 S161	A31-W163 HydrophobicContact CB-CD2 4.14Å; A31-W163 HydrophobicContact CB-CE3 3.75Å; A31-W163 HydrophobicContact CB-CH2 4.22Å; A31-W163 HydrophobicContact CB-CZ3 3.8Å; D128-W163 PolarHBondContact OD2-NE1 3.21Å; S161-W163 PolarHBondContact O-N 3.05Å; S161-W163 PolarHBondContact OG-N 3.17Å; S161-W163 VanDerWaalsContact OG-N 3.11Å
164	D	96.1	Very high	97.4	Very high	35 Å²	35	35.4 Å²	35.4	19%	0.187	18%	0.175	C	C	.	.	S	Bend	trans	-142	179.8	-178.3	66	34	0	0	0	112.2	T166	D164-T166 PolarHBondContact O-N 2.91Å; D164-T166 VanDerWaalsContact OD1-CB 3.25Å; D164-T166 WeakPolarHBondContact OD1-CB 3.24Å; D164-T166 VanDerWaalsContact OD1-CG2 3.3Å; D164-T166 WeakPolarHBondContact OD1-CG2 3.45Å; D164-T166 PolarHBondContact OD1-N 3.13Å; D164-T166 PolarHBondContact OD1-OG1 2.99Å
165	E	96.7	Very high	97.6	Very high	49 Å²	49	28.3 Å²	28.3	23%	0.229	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-14.7	-177.1	64.9	-89	-157.8	0	0	114.6	L167 Y168 K169 E227 K228 N231	E165-L167 PolarHBondContact O-N 3.34Å; E165-L167 VanDerWaalsContact O-N 3.12Å; E165-Y168 WeakPolarHBondContact O-CB 3.47Å; E165-Y168 PolarHBondContact O-N 3.19Å; E165-K169 PolarHBondContact O-N 2.69Å; E165-E227 HydrophobicContact CB-CB 4.01Å; E165-E227 HydrophobicContact CB-CG 3.78Å; E165-E227 HydrophobicContact CG-CB 4.33Å; E165-E227 HydrophobicContact CG-CG 3.53Å; E165-E227 WeakPolarHBondContact O-CB 3.35Å; E165-K228 HydrophobicContact CB-CG 4.18Å; E165-K228 HydrophobicContact CG-CG 3.71Å; E165-K228 WeakPolarHBondContact OE1-CE 3.46Å; E165-N231 HydrophobicContact CB-CB 4.28Å
166	T	98	Very high	97.5	Very high	27 Å²	27	30.9 Å²	30.9	17%	0.166	15%	0.145	C	C	.	.	H	α-helix	trans	-62.5	-27.4	-172.7	63.1	0	0	0	0	112.2	R159 T160 S161 D164 K169 A170	R159-T166 WeakPolarHBondContact O-CB 3.46Å; T160-T166 VanDerWaalsContact CA-OG1 3.28Å; T160-T166 WeakPolarHBondContact CA-OG1 3.46Å; S161-T166 PolarHBondContact N-OG1 3.16Å; D164-T166 PolarHBondContact O-N 2.91Å; D164-T166 VanDerWaalsContact OD1-CB 3.25Å; D164-T166 WeakPolarHBondContact OD1-CB 3.24Å; D164-T166 VanDerWaalsContact OD1-CG2 3.3Å; D164-T166 WeakPolarHBondContact OD1-CG2 3.45Å; D164-T166 PolarHBondContact OD1-N 3.13Å; D164-T166 PolarHBondContact OD1-OG1 2.99Å; T166-K169 WeakPolarHBondContact O-CB 3.34Å; T166-K169 PolarHBondContact O-N 3.01Å; T166-A170 PolarHBondContact O-N 3.37Å; T166-A170 VanDerWaalsContact O-N 3.1Å
167	L	98.2	Very high	97.3	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-61.5	-43.8	171.4	-175.7	64.9	0	0	0	112.2	M21 I24 I25 S161 I162 E165 K169 A170 W171	M21-L167 HydrophobicContact CB-CD1 3.91Å; M21-L167 HydrophobicContact CG-CD1 3.46Å; M21-L167 VanDerWaalsContact CG-CD1 3.46Å; M21-L167 HydrophobicContact CG-CD2 4.45Å; M21-L167 HydrophobicContact SD-CD1 3.45Å; M21-L167 WeakPolarHBondContact SD-CD1 3.28Å; I24-L167 HydrophobicContact CB-CD2 4.23Å; I24-L167 HydrophobicContact CD1-CD2 4.29Å; I24-L167 HydrophobicContact CG2-CD2 3.98Å; I25-L167 HydrophobicContact CD1-CD2 4.15Å; I25-L167 HydrophobicContact CD1-CG 4.1Å; I25-L167 HydrophobicContact CG1-CD2 4.19Å; I25-L167 HydrophobicContact CG1-CG 4.28Å; S161-L167 WeakPolarHBondContact O-CB 3.43Å; I162-L167 HydrophobicContact CG2-CD2 4.41Å; E165-L167 PolarHBondContact O-N 3.34Å; E165-L167 VanDerWaalsContact O-N 3.12Å; L167-K169 VanDerWaalsContact C-N 3.34Å; L167-A170 PolarHBondContact O-N 3.25Å; L167-W171 VanDerWaalsContact CD1-CD1 3.48Å; L167-W171 VanDerWaalsContact O-CD1 3.31Å; L167-W171 PolarHBondContact O-N 3.4Å
168	Y	98.1	Very high	97.1	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.016	15%	0.152	C	C	.	.	H	α-helix	trans	-65.4	-40.2	177.6	-71.7	-90.9	0	0	0	110.9	I25 E165 A170 W171 S172 L210 N231 K234	I25-Y168 HydrophobicContact CD1-CD1 4.01Å; I25-Y168 HydrophobicContact CD1-CE1 3.87Å; I25-Y168 HydrophobicContact CD1-CG 4.4Å; E165-Y168 WeakPolarHBondContact O-CB 3.47Å; E165-Y168 PolarHBondContact O-N 3.19Å; Y168-A170 PolarHBondContact O-N 2.77Å; Y168-W171 PolarHBondContact O-N 2.68Å; Y168-S172 VanDerWaalsContact O-CB 3.24Å; Y168-S172 WeakPolarHBondContact O-CB 3.37Å; Y168-S172 PolarHBondContact O-N 3.1Å; Y168-S172 PolarHBondContact O-OG 3.47Å; Y168-L210 HydrophobicContact CD1-CD2 4.02Å; Y168-N231 HydrophobicContact CD2-CB 3.86Å; Y168-N231 HydrophobicContact CE2-CB 3.84Å; Y168-K234 HydrophobicContact CE1-CB 4.38Å; Y168-K234 HydrophobicContact CE1-CG 4.44Å; Y168-K234 VanDerWaalsContact OH-CG 3.31Å; Y168-K234 WeakPolarHBondContact OH-CG 3.48Å
169	K	97.8	Very high	96.7	Very high	82 Å²	82	33.8 Å²	33.8	36%	0.357	15%	0.149	S	C	.	.	H	α-helix	trans	-56	-50.5	175.1	-171.6	-175.3	-170.6	163.8	0	111.7	F158 E165 T166 L167 S173 H224 E227	F158-K169 HydrophobicContact CE1-CG 4.44Å; E165-K169 PolarHBondContact O-N 2.69Å; T166-K169 WeakPolarHBondContact O-CB 3.34Å; T166-K169 PolarHBondContact O-N 3.01Å; L167-K169 VanDerWaalsContact C-N 3.34Å; K169-S173 PolarHBondContact O-N 3.47Å; K169-S173 VanDerWaalsContact O-N 3.1Å; K169-H224 PolarHBondContact NZ-CE1 3.21Å; K169-H224 VanDerWaalsContact NZ-CE1 3.3Å; K169-H224 PolarHBondContact NZ-ND1 2.79Å; K169-E227 HydrophobicContact CB-CB 3.93Å; K169-E227 HydrophobicContact CB-CG 3.96Å; K169-E227 WeakPolarHBondContact CD-OE1 3.09Å
170	A	98.2	Very high	96.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.7	-50.9	-179.2	0	0	0	0	0	111.5	L123 F158 T160 T166 L167 Y168 S172 S173 I174	L123-A170 HydrophobicContact CD2-CB 3.83Å; F158-A170 HydrophobicContact CB-CB 3.85Å; F158-A170 HydrophobicContact CD1-CB 4.23Å; F158-A170 HydrophobicContact CD2-CB 3.97Å; F158-A170 HydrophobicContact CG-CB 3.75Å; T160-A170 HydrophobicContact CG2-CB 3.57Å; T166-A170 PolarHBondContact O-N 3.37Å; T166-A170 VanDerWaalsContact O-N 3.1Å; L167-A170 PolarHBondContact O-N 3.25Å; Y168-A170 PolarHBondContact O-N 2.77Å; A170-S172 PolarHBondContact O-N 3.5Å; A170-S173 PolarHBondContact O-N 2.91Å; A170-I174 WeakPolarHBondContact O-CD1 3.12Å; A170-I174 VanDerWaalsContact O-CG1 3.28Å; A170-I174 WeakPolarHBondContact O-CG1 3.23Å; A170-I174 PolarHBondContact O-N 3.31Å
171	W	98	Very high	95.7	Very high	3 Å²	3	35.6 Å²	35.6	1%	0.011	17%	0.166	C	C	.	.	H	α-helix	trans	-66.1	-36.6	-179	-81.9	97.7	0	0	0	113.1	I25 F26 I87 L167 Y168 I174 V175 L210	I25-W171 HydrophobicContact CD1-CB 4.41Å; I25-W171 HydrophobicContact CD1-CG 4.36Å; I25-W171 HydrophobicContact CG1-CB 4.42Å; I25-W171 HydrophobicContact CG1-CD2 4.42Å; I25-W171 HydrophobicContact CG1-CG 3.91Å; I25-W171 HydrophobicContact CG2-CG 4.45Å; F26-W171 HydrophobicContact CE2-CD2 4.24Å; F26-W171 AromaticContact CE2-CE3 3.72Å; F26-W171 HydrophobicContact CE2-CE3 3.72Å; F26-W171 AromaticContact CE2-CH2 3.76Å; F26-W171 HydrophobicContact CE2-CH2 3.76Å; F26-W171 HydrophobicContact CE2-CZ2 4.28Å; F26-W171 AromaticContact CE2-CZ3 3.47Å; F26-W171 HydrophobicContact CE2-CZ3 3.47Å; F26-W171 VanDerWaalsContact CE2-CZ3 3.47Å; F26-W171 HydrophobicContact CZ-CD2 4.46Å; F26-W171 AromaticContact CZ-CE3 3.7Å; F26-W171 HydrophobicContact CZ-CE3 3.7Å; F26-W171 HydrophobicContact CZ-CH2 4.46Å; F26-W171 AromaticContact CZ-CZ3 3.72Å; F26-W171 HydrophobicContact CZ-CZ3 3.72Å; I87-W171 HydrophobicContact CD1-CE3 4.3Å; I87-W171 HydrophobicContact CD1-CH2 3.35Å; I87-W171 HydrophobicContact CD1-CZ2 4.02Å; I87-W171 HydrophobicContact CD1-CZ3 3.51Å; L167-W171 VanDerWaalsContact CD1-CD1 3.48Å; L167-W171 VanDerWaalsContact O-CD1 3.31Å; L167-W171 PolarHBondContact O-N 3.4Å; Y168-W171 PolarHBondContact O-N 2.68Å; W171-I174 PolarHBondContact O-N 3.03Å; W171-V175 WeakPolarHBondContact O-CG1 3.43Å; W171-V175 WeakPolarHBondContact O-CG2 3.39Å; W171-V175 PolarHBondContact O-N 2.96Å; W171-L210 HydrophobicContact CB-CD1 4.06Å; W171-L210 HydrophobicContact CB-CD2 3.73Å
172	S	97.1	Very high	95.3	Very high	16 Å²	16	36 Å²	36	11%	0.112	17%	0.169	C	C	.	.	H	α-helix	trans	-59.6	-45.9	172.2	-89.7	0	0	0	0	111.2	Y168 A170 I174 V175 Y176 V211	Y168-S172 VanDerWaalsContact O-CB 3.24Å; Y168-S172 WeakPolarHBondContact O-CB 3.37Å; Y168-S172 PolarHBondContact O-N 3.1Å; Y168-S172 PolarHBondContact O-OG 3.47Å; A170-S172 PolarHBondContact O-N 3.5Å; S172-I174 VanDerWaalsContact C-N 3.29Å; S172-I174 PolarHBondContact O-N 3Å; S172-V175 WeakPolarHBondContact O-CG2 3.33Å; S172-Y176 WeakPolarHBondContact O-CB 3.29Å; S172-Y176 PolarHBondContact O-N 3.05Å; S172-V211 PolarHBondContact OG-N 2.84Å; S172-V211 PolarHBondContact OG-O 3.1Å; S172-V211 VanDerWaalsContact OG-O 3.07Å
173	S	96.7	Very high	94.9	Very high	35 Å²	35	40.1 Å²	40.1	25%	0.245	19%	0.187	C	C	.	.	H	α-helix	trans	-64.1	-34.6	176.7	-175.4	0	0	0	0	112.9	F158 K169 A170	F158-S173 VanDerWaalsContact CZ-CB 3.43Å; F158-S173 WeakPolarHBondContact CZ-OG 3.32Å; K169-S173 PolarHBondContact O-N 3.47Å; K169-S173 VanDerWaalsContact O-N 3.1Å; A170-S173 PolarHBondContact O-N 2.91Å
174	I	96.8	Very high	94.7	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-69.6	-52.8	178.9	-70.7	159.4	0	0	0	110.4	V85 I87 F121 A170 W171 S172 Y176 R177	V85-I174 HydrophobicContact CG1-CG2 4.01Å; I87-I174 HydrophobicContact CD1-CD1 3.91Å; I87-I174 HydrophobicContact CD1-CG2 4Å; I87-I174 HydrophobicContact CG1-CD1 4.04Å; I87-I174 HydrophobicContact CG1-CG2 4.32Å; I87-I174 HydrophobicContact CG2-CD1 4.27Å; F121-I174 HydrophobicContact CB-CD1 4.33Å; F121-I174 HydrophobicContact CB-CG1 4.18Å; F121-I174 HydrophobicContact CD1-CD1 4.46Å; F121-I174 HydrophobicContact CD1-CG1 3.63Å; F121-I174 HydrophobicContact CD2-CG1 3.91Å; F121-I174 HydrophobicContact CE1-CG1 3.85Å; F121-I174 HydrophobicContact CE2-CG1 4.1Å; F121-I174 HydrophobicContact CG-CD1 4.31Å; F121-I174 HydrophobicContact CG-CG1 3.64Å; F121-I174 HydrophobicContact CZ-CG1 4.06Å; A170-I174 WeakPolarHBondContact O-CD1 3.12Å; A170-I174 VanDerWaalsContact O-CG1 3.28Å; A170-I174 WeakPolarHBondContact O-CG1 3.23Å; A170-I174 PolarHBondContact O-N 3.31Å; W171-I174 PolarHBondContact O-N 3.03Å; S172-I174 VanDerWaalsContact C-N 3.29Å; S172-I174 PolarHBondContact O-N 3Å; I174-Y176 VanDerWaalsContact C-N 3.27Å; I174-Y176 PolarHBondContact O-N 3.06Å; I174-R177 PolarHBondContact O-N 3.44Å
175	V	95	Very high	94.5	Very high	1 Å²	1	36 Å²	36	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-67.2	-31.8	-178	-59	0	0	0	0	111.5	F50 L56 W171 S172 R177 L178 I179 L210	F50-V175 HydrophobicContact CE1-CB 4.18Å; F50-V175 HydrophobicContact CE1-CG2 4.1Å; F50-V175 HydrophobicContact CE2-CG1 4.42Å; F50-V175 HydrophobicContact CE2-CG2 4.48Å; F50-V175 HydrophobicContact CZ-CB 4.01Å; F50-V175 HydrophobicContact CZ-CG1 4.34Å; F50-V175 HydrophobicContact CZ-CG2 3.69Å; L56-V175 HydrophobicContact CD1-CG1 3.93Å; W171-V175 WeakPolarHBondContact O-CG1 3.43Å; W171-V175 WeakPolarHBondContact O-CG2 3.39Å; W171-V175 PolarHBondContact O-N 2.96Å; S172-V175 WeakPolarHBondContact O-CG2 3.33Å; V175-R177 PolarHBondContact O-N 3.09Å; V175-L178 WeakPolarHBondContact O-CA 3.49Å; V175-L178 WeakPolarHBondContact O-CB 3.45Å; V175-L178 PolarHBondContact O-N 3.33Å; V175-I179 WeakPolarHBondContact O-CG1 3.47Å; V175-I179 PolarHBondContact O-N 3.07Å; V175-L210 HydrophobicContact CB-CD1 4.49Å; V175-L210 HydrophobicContact CG1-CD1 3.85Å; V175-L210 HydrophobicContact CG2-CB 4.38Å; V175-L210 HydrophobicContact CG2-CD1 3.84Å
176	Y	94.3	Very high	94.3	Very high	69 Å²	69	36.1 Å²	36.1	27%	0.271	18%	0.175	S	C	.	.	H	α-helix	trans	-53.5	-39.3	174.9	177.9	-91.8	0	0	0	112.4	S172 I174 L178 I179 V182 E186	S172-Y176 WeakPolarHBondContact O-CB 3.29Å; S172-Y176 PolarHBondContact O-N 3.05Å; I174-Y176 VanDerWaalsContact C-N 3.27Å; I174-Y176 PolarHBondContact O-N 3.06Å; Y176-L178 PolarHBondContact O-N 3.26Å; Y176-I179 PolarHBondContact O-N 3.23Å; Y176-V182 HydrophobicContact CD2-CG2 3.93Å; Y176-V182 HydrophobicContact CE1-CG1 4.48Å; Y176-V182 HydrophobicContact CE2-CB 4.37Å; Y176-V182 HydrophobicContact CE2-CG1 4.09Å; Y176-V182 HydrophobicContact CE2-CG2 3.42Å; Y176-V182 VanDerWaalsContact CE2-CG2 3.42Å; Y176-E186 PolarHBondContact OH-OE1 2.88Å
177	R	94.2	Very high	94.2	Very high	138 Å²	138	40.5 Å²	40.5	52%	0.521	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-19.8	176.5	-63.5	-59	-175.4	176.4	-0.1	113.9	F121 I174 V175	F121-R177 HydrophobicContact CE2-CG 4.37Å; F121-R177 HydrophobicContact CZ-CG 3.83Å; I174-R177 PolarHBondContact O-N 3.44Å; V175-R177 PolarHBondContact O-N 3.09Å
178	L	93.7	Very high	94	Very high	6 Å²	6	41.2 Å²	41.2	3%	0.031	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-12.4	-177.4	-62.2	177.5	0	0	0	112.9	K6 V8 L54 L56 E84 V85 V175 Y176 P180	K6-L178 HydrophobicContact CB-CD2 4.15Å; K6-L178 HydrophobicContact CD-CD2 4.37Å; K6-L178 HydrophobicContact CG-CD2 4.28Å; V8-L178 HydrophobicContact CG2-CD1 3.63Å; L54-L178 HydrophobicContact CD2-CB 4.47Å; L56-L178 HydrophobicContact CD2-CB 4.29Å; L56-L178 HydrophobicContact CD2-CD1 3.64Å; E84-L178 HydrophobicContact CB-CD2 3.93Å; V85-L178 HydrophobicContact CG2-CD1 4.09Å; V85-L178 HydrophobicContact CG2-CD2 3.58Å; V85-L178 HydrophobicContact CG2-CG 3.94Å; V175-L178 WeakPolarHBondContact O-CA 3.49Å; V175-L178 WeakPolarHBondContact O-CB 3.45Å; V175-L178 PolarHBondContact O-N 3.33Å; Y176-L178 PolarHBondContact O-N 3.26Å; L178-P180 WeakPolarHBondContact O-CD 3.24Å
179	I	91.9	Very high	93.8	Very high	10 Å²	10	41 Å²	41	5%	0.051	20%	0.198	C	C	.	.			trans	-77.4	118	-179.2	-63.7	166.9	0	0	0	109	F50 L51 L54 V175 Y176 V182 I212	F50-I179 HydrophobicContact CE1-CD1 4.07Å; F50-I179 HydrophobicContact CE1-CG1 4.26Å; L51-I179 HydrophobicContact CD1-CD1 3.89Å; L51-I179 HydrophobicContact CD1-CG1 3.97Å; L51-I179 HydrophobicContact CD1-CG2 4.01Å; L54-I179 HydrophobicContact CD2-CG1 4.49Å; V175-I179 WeakPolarHBondContact O-CG1 3.47Å; V175-I179 PolarHBondContact O-N 3.07Å; Y176-I179 PolarHBondContact O-N 3.23Å; I179-V182 HydrophobicContact CB-CB 4.38Å; I179-V182 HydrophobicContact CG2-CB 4.07Å; I179-V182 HydrophobicContact CG2-CG2 4.27Å; I179-I212 HydrophobicContact CD1-CB 3.83Å; I179-I212 HydrophobicContact CD1-CG2 3.92Å
180	P	89.5	Confident	93.7	Very high	31 Å²	31	42.3 Å²	42.3	20%	0.201	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	156.8	173.3	31.2	-36.7	0	0	0	110.2	M4 L178 V182 Q301	M4-P180 HydrophobicContact CE-CB 3.92Å; M4-P180 HydrophobicContact CE-CG 3.57Å; L178-P180 WeakPolarHBondContact O-CD 3.24Å; P180-V182 PolarHBondContact O-N 3.25Å; P180-Q301 HydrophobicContact CG-CB 4.05Å; P180-Q301 WeakPolarHBondContact CG-O 3.32Å; P180-Q301 PolarHBondContact O-NE2 3.29Å; P180-Q301 PolarHBondContact O-OE1 3.04Å
181	N	85.4	Confident	93.5	Very high	85 Å²	85	51 Å²	51	46%	0.455	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	38.2	38.1	176.6	-36.1	-68	0	0	0	115.4	Q183 L184 R300 Q301	N181-Q183 PolarHBondContact O-N 2.98Å; N181-L184 HydrophobicContact CB-CB 4.4Å; N181-L184 WeakPolarHBondContact O-CB 3.2Å; N181-L184 PolarHBondContact O-N 3.21Å; N181-L184 VanDerWaalsContact O-N 3.07Å; N181-R300 PolarHBondContact ND2-O 3.05Å; N181-Q301 VanDerWaalsContact CB-OE1 3.25Å; N181-Q301 PolarHBondContact ND2-OE1 2.79Å; N181-Q301 VanDerWaalsContact ND2-OE1 3.14Å; N181-Q301 PolarHBondContact O-NE2 3.47Å
182	V	89.8	Confident	93.4	Very high	8 Å²	8	51.5 Å²	51.5	5%	0.048	24%	0.24	C	C	.	.	H	α-helix	trans	-62.1	-29.4	-177.2	68.6	0	0	0	0	111.4	Y176 I179 P180 L184 L185 E186	Y176-V182 HydrophobicContact CD2-CG2 3.93Å; Y176-V182 HydrophobicContact CE1-CG1 4.48Å; Y176-V182 HydrophobicContact CE2-CB 4.37Å; Y176-V182 HydrophobicContact CE2-CG1 4.09Å; Y176-V182 HydrophobicContact CE2-CG2 3.42Å; Y176-V182 VanDerWaalsContact CE2-CG2 3.42Å; I179-V182 HydrophobicContact CB-CB 4.38Å; I179-V182 HydrophobicContact CG2-CB 4.07Å; I179-V182 HydrophobicContact CG2-CG2 4.27Å; P180-V182 PolarHBondContact O-N 3.25Å; V182-L184 VanDerWaalsContact C-N 3.3Å; V182-L184 PolarHBondContact O-N 2.9Å; V182-L185 WeakPolarHBondContact O-CB 3.48Å; V182-L185 PolarHBondContact O-N 3.39Å; V182-L185 VanDerWaalsContact O-N 3.09Å; V182-E186 WeakPolarHBondContact O-CG 3.26Å; V182-E186 PolarHBondContact O-N 2.95Å
183	Q	91.2	Very high	93.3	Very high	115 Å²	115	50.8 Å²	50.8	54%	0.537	24%	0.235	S	C	.	.	H	α-helix	trans	-62.7	-34.9	176.2	-57.5	90.2	-4.2	0	0	112.7	N181 L185 E186 Q187	N181-Q183 PolarHBondContact O-N 2.98Å; Q183-L185 VanDerWaalsContact C-N 3.31Å; Q183-E186 PolarHBondContact O-N 3.38Å; Q183-Q187 VanDerWaalsContact O-CG 3.27Å; Q183-Q187 WeakPolarHBondContact O-CG 3.27Å; Q183-Q187 PolarHBondContact O-N 3.22Å
184	L	92	Very high	93.1	Very high	64 Å²	64	52 Å²	52	34%	0.335	24%	0.243	S	C	.	.	H	α-helix	trans	-68.4	-35.8	176.8	-178.4	64.8	0	0	0	111	N181 V182 S188 L297	N181-L184 HydrophobicContact CB-CB 4.4Å; N181-L184 WeakPolarHBondContact O-CB 3.2Å; N181-L184 PolarHBondContact O-N 3.21Å; N181-L184 VanDerWaalsContact O-N 3.07Å; V182-L184 VanDerWaalsContact C-N 3.3Å; V182-L184 PolarHBondContact O-N 2.9Å; L184-S188 WeakPolarHBondContact O-CB 3.37Å; L184-S188 PolarHBondContact O-N 3.18Å; L184-S188 VanDerWaalsContact O-N 3.13Å; L184-S188 PolarHBondContact O-OG 3.46Å; L184-L297 HydrophobicContact CD2-CD2 3.67Å; L184-L297 HydrophobicContact CG-CD2 3.88Å
185	L	91.9	Very high	92.9	Very high	12 Å²	12	57.2 Å²	57.2	6%	0.063	27%	0.27	C	S	.	.	H	α-helix	trans	-66.2	-45.8	175.6	-174.3	60.9	0	0	0	110.8	V182 Q183 S188 L189 L203 I212 F294	V182-L185 WeakPolarHBondContact O-CB 3.48Å; V182-L185 PolarHBondContact O-N 3.39Å; V182-L185 VanDerWaalsContact O-N 3.09Å; Q183-L185 VanDerWaalsContact C-N 3.31Å; L185-S188 PolarHBondContact O-N 3.23Å; L185-L189 WeakPolarHBondContact O-CB 3.42Å; L185-L189 PolarHBondContact O-N 2.67Å; L185-L203 HydrophobicContact CD1-CD2 3.67Å; L185-L203 HydrophobicContact CD2-CD2 3.76Å; L185-L203 HydrophobicContact CG-CD2 3.89Å; L185-I212 HydrophobicContact CD2-CD1 4.03Å; L185-I212 HydrophobicContact CD2-CG1 4.3Å; L185-F294 HydrophobicContact CD1-CD1 3.84Å; L185-F294 HydrophobicContact CD1-CE1 3.98Å
186	E	93.1	Very high	92.7	Very high	50 Å²	50	57.4 Å²	57.4	23%	0.234	27%	0.271	C	S	.	.	H	α-helix	trans	-58.7	-51.4	176.4	-72.5	176.5	154.1	0	0	111.9	Y176 V182 Q183 S188 L189 E190 S213	Y176-E186 PolarHBondContact OH-OE1 2.88Å; V182-E186 WeakPolarHBondContact O-CG 3.26Å; V182-E186 PolarHBondContact O-N 2.95Å; Q183-E186 PolarHBondContact O-N 3.38Å; E186-S188 VanDerWaalsContact C-N 3.26Å; E186-S188 PolarHBondContact O-N 3.22Å; E186-L189 CarbonylContact O-C 3.57Å; E186-L189 WeakPolarHBondContact O-CB 3.48Å; E186-L189 PolarHBondContact O-N 2.78Å; E186-E190 WeakPolarHBondContact O-CG 3.48Å; E186-E190 PolarHBondContact O-N 3.18Å; E186-S213 VanDerWaalsContact CG-OG 3.26Å; E186-S213 WeakPolarHBondContact CG-OG 3.47Å
187	Q	94.4	Very high	92.6	Very high	120 Å²	120	60.1 Å²	60.1	56%	0.561	29%	0.286	S	S	*	.	H	α-helix	trans	-58.2	-39.3	177.8	-72.1	170.9	10.4	0	0	112.4	Q183 L189 R191	Q183-Q187 VanDerWaalsContact O-CG 3.27Å; Q183-Q187 WeakPolarHBondContact O-CG 3.27Å; Q183-Q187 PolarHBondContact O-N 3.22Å; Q187-L189 VanDerWaalsContact C-N 3.35Å; Q187-R191 WeakPolarHBondContact O-CB 3.32Å; Q187-R191 PolarHBondContact O-N 3.17Å
188	S	94	Very high	92.5	Very high	15 Å²	15	53.5 Å²	53.5	11%	0.105	26%	0.261	C	S	.	.	H	α-helix	trans	-69.1	-37	178.1	-57.1	0	0	0	0	111.3	L184 L185 E186 F192 L297	L184-S188 WeakPolarHBondContact O-CB 3.37Å; L184-S188 PolarHBondContact O-N 3.18Å; L184-S188 VanDerWaalsContact O-N 3.13Å; L184-S188 PolarHBondContact O-OG 3.46Å; L185-S188 PolarHBondContact O-N 3.23Å; E186-S188 VanDerWaalsContact C-N 3.26Å; E186-S188 PolarHBondContact O-N 3.22Å; S188-F192 WeakPolarHBondContact O-CB 3.36Å; S188-F192 PolarHBondContact O-N 3.15Å; S188-L297 VanDerWaalsContact CB-CD1 3.46Å; S188-L297 WeakPolarHBondContact OG-CD1 3.42Å
189	L	95	Very high	92.5	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-70.2	-40.5	176.8	-158.7	66.1	0	0	0	112	L185 E186 Q187 F192 S193 I201 L203 F294	L185-L189 WeakPolarHBondContact O-CB 3.42Å; L185-L189 PolarHBondContact O-N 2.67Å; E186-L189 CarbonylContact O-C 3.57Å; E186-L189 WeakPolarHBondContact O-CB 3.48Å; E186-L189 PolarHBondContact O-N 2.78Å; Q187-L189 VanDerWaalsContact C-N 3.35Å; L189-F192 PolarHBondContact O-N 3.13Å; L189-S193 VanDerWaalsContact O-CB 3.25Å; L189-S193 WeakPolarHBondContact O-CB 3.43Å; L189-S193 PolarHBondContact O-N 3.22Å; L189-I201 HydrophobicContact CD1-CB 4.37Å; L189-I201 HydrophobicContact CD1-CG2 3.57Å; L189-I201 HydrophobicContact CD2-CG2 4.35Å; L189-I201 HydrophobicContact CG-CB 4.34Å; L189-I201 HydrophobicContact CG-CG2 4.03Å; L189-L203 HydrophobicContact CD2-CB 4.16Å; L189-F294 HydrophobicContact CD1-CE1 4.08Å; L189-F294 HydrophobicContact CD1-CZ 4.05Å
190	E	95.4	Very high	92.7	Very high	109 Å²	109	53.7 Å²	53.7	51%	0.509	26%	0.262	S	S	.	.	H	α-helix	trans	-62.6	-43.3	173.6	-73.9	177.9	176.4	0	0	112.3	E186 S193 S194	E186-E190 WeakPolarHBondContact O-CG 3.48Å; E186-E190 PolarHBondContact O-N 3.18Å; E190-S193 PolarHBondContact O-N 2.97Å; E190-S194 WeakPolarHBondContact O-CB 3.5Å; E190-S194 PolarHBondContact O-N 3.34Å; E190-S194 PolarHBondContact O-OG 3.46Å
191	R	95.1	Very high	93	Very high	184 Å²	184	52.2 Å²	52.2	69%	0.694	25%	0.253	S	S	*	.	H	α-helix	trans	-62.5	-44.8	174	-176.7	177	179.9	173	1.8	111	Q187 S194 I195	Q187-R191 WeakPolarHBondContact O-CB 3.32Å; Q187-R191 PolarHBondContact O-N 3.17Å; R191-S194 PolarHBondContact O-N 3.19Å; R191-I195 HydrophobicContact CG-CD1 4Å; R191-I195 WeakPolarHBondContact O-CG1 3.47Å; R191-I195 PolarHBondContact O-N 2.83Å
192	F	94.9	Very high	93.5	Very high	13 Å²	13	48.2 Å²	48.2	6%	0.057	23%	0.231	C	C	.	.	H	α-helix	trans	-62.7	-46.8	178	179.3	-124.7	0	0	0	111.7	S188 L189 S194 I195 I196 I201 F264 I287 A290 F294	S188-F192 WeakPolarHBondContact O-CB 3.36Å; S188-F192 PolarHBondContact O-N 3.15Å; L189-F192 PolarHBondContact O-N 3.13Å; F192-S194 PolarHBondContact O-N 3.47Å; F192-I195 PolarHBondContact O-N 2.84Å; F192-I195 VanDerWaalsContact O-N 3.09Å; F192-I196 HydrophobicContact CD1-CD1 4.36Å; F192-I196 HydrophobicContact CD2-CG2 3.97Å; F192-I196 HydrophobicContact CE1-CD1 3.79Å; F192-I196 HydrophobicContact CE2-CD1 4.21Å; F192-I196 HydrophobicContact CE2-CG2 3.48Å; F192-I196 VanDerWaalsContact CE2-CG2 3.48Å; F192-I196 HydrophobicContact CZ-CD1 3.69Å; F192-I196 HydrophobicContact CZ-CG2 3.98Å; F192-I196 PolarHBondContact O-N 3.4Å; F192-I196 VanDerWaalsContact O-N 3.11Å; F192-I201 HydrophobicContact CD1-CD1 3.42Å; F192-I201 VanDerWaalsContact CD1-CD1 3.42Å; F192-I201 HydrophobicContact CE1-CD1 3.74Å; F192-I201 HydrophobicContact CG-CD1 4.29Å; F192-F264 HydrophobicContact CE1-CZ 4.29Å; F192-I287 HydrophobicContact CZ-CG1 4.09Å; F192-A290 HydrophobicContact CD2-CB 3.71Å; F192-A290 HydrophobicContact CE1-CB 4.46Å; F192-A290 HydrophobicContact CE2-CB 3.38Å; F192-A290 HydrophobicContact CG-CB 4.39Å; F192-A290 HydrophobicContact CZ-CB 3.81Å; F192-F294 HydrophobicContact CB-CE2 4.16Å; F192-F294 HydrophobicContact CB-CZ 4.16Å; F192-F294 HydrophobicContact CD1-CE2 4.5Å; F192-F294 HydrophobicContact CG-CE2 4.29Å
193	S	94.6	Very high	93.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-52.8	-41	173.4	-178.8	0	0	0	0	112.3	L189 E190 E197 A198 I201 S215 R217	L189-S193 VanDerWaalsContact O-CB 3.25Å; L189-S193 WeakPolarHBondContact O-CB 3.43Å; L189-S193 PolarHBondContact O-N 3.22Å; E190-S193 PolarHBondContact O-N 2.97Å; S193-E197 WeakPolarHBondContact O-CA 3.43Å; S193-E197 PolarHBondContact O-N 3.4Å; S193-E197 VanDerWaalsContact O-N 3.09Å; S193-A198 PolarHBondContact O-N 3.09Å; S193-I201 VanDerWaalsContact CA-CD1 3.47Å; S193-S215 WeakPolarHBondContact CB-OG 3.27Å; S193-S215 PolarHBondContact OG-OG 2.55Å; S193-R217 WeakPolarHBondContact OG-CD 3.36Å
194	S	93.1	Very high	94.1	Very high	60 Å²	60	42.5 Å²	42.5	42%	0.42	20%	0.204	S	C	.	.	H	α-helix	trans	-72	-34.2	177.6	-57.4	0	0	0	0	114.5	E190 R191 F192 R217	E190-S194 WeakPolarHBondContact O-CB 3.5Å; E190-S194 PolarHBondContact O-N 3.34Å; E190-S194 PolarHBondContact O-OG 3.46Å; R191-S194 PolarHBondContact O-N 3.19Å; F192-S194 PolarHBondContact O-N 3.47Å; S194-R217 VanDerWaalsContact CA-NH1 3.28Å; S194-R217 VanDerWaalsContact CB-NH1 3.33Å; S194-R217 PolarHBondContact OG-NH1 2.84Å
195	I	92.2	Very high	94.3	Very high	112 Å²	112	39.8 Å²	39.8	57%	0.574	19%	0.189	S	C	*	.	H	α-helix	trans	-70.5	-38.2	179	-70.9	164.2	0	0	0	111.4	R191 F192	R191-I195 HydrophobicContact CG-CD1 4Å; R191-I195 WeakPolarHBondContact O-CG1 3.47Å; R191-I195 PolarHBondContact O-N 2.83Å; F192-I195 PolarHBondContact O-N 2.84Å; F192-I195 VanDerWaalsContact O-N 3.09Å
196	I	91.5	Very high	94.5	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	2.8	-176.8	75.1	176.3	0	0	0	113.2	F192 A198 I201 V272 T283 N286	F192-I196 HydrophobicContact CD1-CD1 4.36Å; F192-I196 HydrophobicContact CD2-CG2 3.97Å; F192-I196 HydrophobicContact CE1-CD1 3.79Å; F192-I196 HydrophobicContact CE2-CD1 4.21Å; F192-I196 HydrophobicContact CE2-CG2 3.48Å; F192-I196 VanDerWaalsContact CE2-CG2 3.48Å; F192-I196 HydrophobicContact CZ-CD1 3.69Å; F192-I196 HydrophobicContact CZ-CG2 3.98Å; F192-I196 PolarHBondContact O-N 3.4Å; F192-I196 VanDerWaalsContact O-N 3.11Å; I196-A198 HydrophobicContact CD1-CB 3.91Å; I196-A198 HydrophobicContact CG1-CB 3.71Å; I196-A198 PolarHBondContact O-N 3.26Å; I196-I201 HydrophobicContact CD1-CD1 3.67Å; I196-I201 HydrophobicContact CG1-CD1 4.27Å; I196-V272 HydrophobicContact CD1-CG1 3.62Å; I196-V272 HydrophobicContact CD1-CG2 4.1Å; I196-T283 HydrophobicContact CD1-CG2 4.35Å; I196-N286 HydrophobicContact CB-CB 4.49Å; I196-N286 HydrophobicContact CG2-CB 3.49Å; I196-N286 VanDerWaalsContact CG2-CB 3.49Å
197	E	91	Very high	94.5	Very high	126 Å²	126	42.6 Å²	42.6	59%	0.589	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	37.7	-177.6	-55.7	-173.7	147.8	0	0	113.1	S193	S193-E197 WeakPolarHBondContact O-CA 3.43Å; S193-E197 PolarHBondContact O-N 3.4Å; S193-E197 VanDerWaalsContact O-N 3.09Å
198	A	93.5	Very high	94.5	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.			trans	-69.6	140.9	177	0	0	0	0	0	111.3	S193 I196 E200 I201 R217 V272 L274	S193-A198 PolarHBondContact O-N 3.09Å; I196-A198 HydrophobicContact CD1-CB 3.91Å; I196-A198 HydrophobicContact CG1-CB 3.71Å; I196-A198 PolarHBondContact O-N 3.26Å; A198-E200 VanDerWaalsContact C-N 3.33Å; A198-I201 HydrophobicContact CB-CD1 3.94Å; A198-I201 HydrophobicContact CB-CG1 3.61Å; A198-R217 VanDerWaalsContact O-CD 3.28Å; A198-R217 WeakPolarHBondContact O-CD 3.28Å; A198-V272 HydrophobicContact CB-CG1 3.84Å; A198-L274 HydrophobicContact CB-CD2 4.36Å
199	D	93.5	Very high	94.7	Very high	16 Å²	16	36.3 Å²	36.3	9%	0.086	18%	0.179	C	C	.	.	S	Bend	trans	-72.7	-36	170.5	-71.1	-23.2	0	0	0	110.7	R217 R218 V273 S275	D199-R217 PolarHBondContact O-N 3.47Å; D199-R218 HydrophobicContact CB-CB 4.44Å; D199-R218 HydrophobicContact CB-CG 4.13Å; D199-R218 VanDerWaalsContact CG-CD 3.45Å; D199-R218 VanDerWaalsContact CG-NE 3.29Å; D199-R218 PolarHBondContact O-N 2.78Å; D199-R218 VanDerWaalsContact OD1-CD 3.31Å; D199-R218 WeakPolarHBondContact OD1-CD 3.35Å; D199-R218 IonicContact OD1-CZ 3.39Å; D199-R218 VanDerWaalsContact OD1-CZ 3.26Å; D199-R218 IonicContact OD1-NE 3.26Å; D199-R218 PolarHBondContact OD1-NE 2.82Å; D199-R218 IonicContact OD1-NH2 3.7Å; D199-R218 PolarHBondContact OD1-NH2 3.28Å; D199-R218 IonicContact OD2-CZ 2.58Å; D199-R218 IonicContact OD2-NE 3.55Å; D199-R218 PolarHBondContact OD2-NE 3.23Å; D199-R218 IonicContact OD2-NH1 3.8Å; D199-V273 PolarHBondContact N-O 2.89Å; D199-S275 WeakPolarHBondContact OD2-CA 3.44Å; D199-S275 WeakPolarHBondContact OD2-CB 3.39Å; D199-S275 PolarHBondContact OD2-N 3.15Å; D199-S275 PolarHBondContact OD2-OG 3.5Å
200	E	95	Very high	94.8	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.019	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	139.7	179.5	178.9	164	97.4	0	0	111.2	A198 L202 S215 H220 R225 F226 V273	A198-E200 VanDerWaalsContact C-N 3.33Å; E200-L202 HydrophobicContact CG-CD2 3.9Å; E200-L202 HydrophobicContact CG-CG 4.25Å; E200-S215 CarbonylContact C-O 3.57Å; E200-S215 VanDerWaalsContact CA-O 3.29Å; E200-S215 WeakPolarHBondContact CA-O 3.46Å; E200-H220 IonicContact OE2-CD2 3.76Å; E200-H220 IonicContact OE2-NE2 3.47Å; E200-R225 IonicContact OE1-NE 3.96Å; E200-R225 PolarHBondContact OE1-NE 3.16Å; E200-R225 VanDerWaalsContact OE1-NE 3.16Å; E200-R225 IonicContact OE2-CZ 3.76Å; E200-R225 IonicContact OE2-NE 2.71Å; E200-R225 PolarHBondContact OE2-NE 2.9Å; E200-R225 IonicContact OE2-NH2 3.53Å; E200-R225 PolarHBondContact OE2-NH2 3.25Å; E200-F226 WeakPolarHBondContact OE2-CE1 3.31Å; E200-V273 HydrophobicContact CB-CB 4.18Å; E200-V273 HydrophobicContact CB-CG2 4.41Å; E200-V273 PolarHBondContact N-O 3.39Å; E200-V273 PolarHBondContact O-N 3.02Å
201	I	96.3	Very high	94.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	128.1	168.9	-55.7	-170.5	0	0	0	108.9	L189 F192 S193 I196 A198 Y214 S215 V270 M271 V272	L189-I201 HydrophobicContact CD1-CB 4.37Å; L189-I201 HydrophobicContact CD1-CG2 3.57Å; L189-I201 HydrophobicContact CD2-CG2 4.35Å; L189-I201 HydrophobicContact CG-CB 4.34Å; L189-I201 HydrophobicContact CG-CG2 4.03Å; F192-I201 HydrophobicContact CD1-CD1 3.42Å; F192-I201 VanDerWaalsContact CD1-CD1 3.42Å; F192-I201 HydrophobicContact CE1-CD1 3.74Å; F192-I201 HydrophobicContact CG-CD1 4.29Å; S193-I201 VanDerWaalsContact CA-CD1 3.47Å; I196-I201 HydrophobicContact CD1-CD1 3.67Å; I196-I201 HydrophobicContact CG1-CD1 4.27Å; A198-I201 HydrophobicContact CB-CD1 3.94Å; A198-I201 HydrophobicContact CB-CG1 3.61Å; I201-Y214 CarbonylContact O-C 3.57Å; I201-Y214 WeakPolarHBondContact O-CA 3.37Å; I201-Y214 WeakPolarHBondContact O-CB 3.19Å; I201-S215 PolarHBondContact N-O 3.35Å; I201-S215 PolarHBondContact O-N 3.22Å; I201-V270 HydrophobicContact CG2-CG2 3.55Å; I201-M271 CarbonylContact C-O 3.56Å; I201-M271 VanDerWaalsContact CA-O 3.24Å; I201-M271 WeakPolarHBondContact CA-O 3.31Å; I201-V272 HydrophobicContact CD1-CG2 4.32Å; I201-V272 HydrophobicContact CG1-CG1 4.49Å; I201-V272 HydrophobicContact CG1-CG2 4.25Å; I201-V272 HydrophobicContact CG2-CG2 4.37Å
202	L	96.9	Very high	94.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	137.1	171.8	-49.8	179.9	0	0	0	109.5	E200 F204 Y214 F226 I229 V270 M271	E200-L202 HydrophobicContact CG-CD2 3.9Å; E200-L202 HydrophobicContact CG-CG 4.25Å; L202-F204 HydrophobicContact CB-CD2 4.4Å; L202-F204 HydrophobicContact CB-CE1 4.38Å; L202-F204 HydrophobicContact CB-CE2 3.51Å; L202-F204 HydrophobicContact CB-CZ 3.51Å; L202-F204 HydrophobicContact CD1-CE1 4.47Å; L202-F204 HydrophobicContact CD1-CE2 4.42Å; L202-F204 HydrophobicContact CD1-CZ 3.69Å; L202-F204 HydrophobicContact CG-CZ 4.23Å; L202-Y214 HydrophobicContact CD2-CG 4.49Å; L202-F226 HydrophobicContact CD1-CD1 3.88Å; L202-F226 HydrophobicContact CD1-CE1 4.44Å; L202-F226 HydrophobicContact CD2-CD1 3.46Å; L202-F226 VanDerWaalsContact CD2-CD1 3.46Å; L202-F226 HydrophobicContact CD2-CE1 3.35Å; L202-F226 HydrophobicContact CD2-CG 4.36Å; L202-F226 HydrophobicContact CD2-CZ 4.15Å; L202-F226 HydrophobicContact CG-CD1 4.34Å; L202-I229 HydrophobicContact CD1-CD1 3.67Å; L202-I229 HydrophobicContact CD1-CG2 4.48Å; L202-V270 CarbonylContact O-C 3.46Å; L202-V270 WeakPolarHBondContact O-CA 3.47Å; L202-M271 HydrophobicContact CB-CB 4.19Å; L202-M271 HydrophobicContact CD1-SD 4.24Å; L202-M271 PolarHBondContact N-O 3.14Å; L202-M271 PolarHBondContact O-N 2.89Å
203	L	96.4	Very high	94.8	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130	173.5	-168.4	68	0	0	0	108.8	L185 L189 V211 I212 S213 F264 T268 V270	L185-L203 HydrophobicContact CD1-CD2 3.67Å; L185-L203 HydrophobicContact CD2-CD2 3.76Å; L185-L203 HydrophobicContact CG-CD2 3.89Å; L189-L203 HydrophobicContact CD2-CB 4.16Å; L203-V211 WeakPolarHBondContact O-CA 3.4Å; L203-I212 HydrophobicContact CB-CD1 4.42Å; L203-I212 HydrophobicContact CB-CG1 3.92Å; L203-I212 HydrophobicContact CD2-CD1 3.59Å; L203-I212 HydrophobicContact CD2-CG1 3.83Å; L203-I212 HydrophobicContact CG-CD1 3.65Å; L203-I212 HydrophobicContact CG-CG1 3.71Å; L203-I212 WeakPolarHBondContact O-CG1 3.42Å; L203-I212 PolarHBondContact O-N 2.9Å; L203-S213 PolarHBondContact N-O 2.77Å; L203-F264 HydrophobicContact CD1-CD1 3.56Å; L203-F264 HydrophobicContact CD1-CE1 4.16Å; L203-T268 HydrophobicContact CD1-CG2 4.39Å; L203-T268 HydrophobicContact CG-CG2 4.47Å; L203-V270 HydrophobicContact CD1-CB 4.43Å
204	F	96.9	Very high	94.8	Very high	1 Å²	1	27.7 Å²	27.7	0%	0.004	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	144.4	-176.8	-52.8	-92.5	0	0	0	110.9	L202 F209 L210 V211 I229 T268 Y269 M271	L202-F204 HydrophobicContact CB-CD2 4.4Å; L202-F204 HydrophobicContact CB-CE1 4.38Å; L202-F204 HydrophobicContact CB-CE2 3.51Å; L202-F204 HydrophobicContact CB-CZ 3.51Å; L202-F204 HydrophobicContact CD1-CE1 4.47Å; L202-F204 HydrophobicContact CD1-CE2 4.42Å; L202-F204 HydrophobicContact CD1-CZ 3.69Å; L202-F204 HydrophobicContact CG-CZ 4.23Å; F204-F209 HydrophobicContact CB-CD1 4.23Å; F204-F209 HydrophobicContact CD1-CD1 4.3Å; F204-F209 WeakPolarHBondContact CD1-O 3.4Å; F204-F209 HydrophobicContact CG-CD1 4.2Å; F204-L210 CarbonylContact C-O 3.52Å; F204-L210 VanDerWaalsContact CA-O 3.29Å; F204-L210 WeakPolarHBondContact CA-O 3.45Å; F204-V211 HydrophobicContact CD1-CG2 3.77Å; F204-V211 HydrophobicContact CE1-CG2 3.53Å; F204-V211 HydrophobicContact CZ-CG2 4.48Å; F204-I229 HydrophobicContact CE1-CG2 4.14Å; F204-I229 HydrophobicContact CZ-CG2 3.67Å; F204-T268 CarbonylContact O-C 3.57Å; F204-T268 WeakPolarHBondContact O-CA 3.48Å; F204-T268 VanDerWaalsContact O-CB 3.31Å; F204-T268 WeakPolarHBondContact O-CB 3.32Å; F204-Y269 PolarHBondContact N-O 3.41Å; F204-Y269 PolarHBondContact O-N 3.26Å; F204-M271 HydrophobicContact CE2-CB 3.66Å; F204-M271 HydrophobicContact CZ-CB 4.33Å
205	E	95.8	Very high	94.9	Very high	7 Å²	7	25.3 Å²	25.3	3%	0.033	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	130.7	164.6	-168.9	-76.5	134.1	0	0	109.6	F50 L51 A207 T208 F209 L210 I212	F50-E205 HydrophobicContact CD1-CG 4.23Å; F50-E205 HydrophobicContact CD2-CB 4.43Å; F50-E205 HydrophobicContact CD2-CG 3.74Å; F50-E205 HydrophobicContact CE1-CB 4.07Å; F50-E205 HydrophobicContact CE1-CG 4.02Å; F50-E205 HydrophobicContact CE2-CB 3.71Å; F50-E205 HydrophobicContact CE2-CG 3.51Å; F50-E205 HydrophobicContact CG-CG 4.09Å; F50-E205 HydrophobicContact CZ-CB 3.48Å; F50-E205 VanDerWaalsContact CZ-CB 3.48Å; F50-E205 HydrophobicContact CZ-CG 3.66Å; L51-E205 HydrophobicContact CD2-CB 4.16Å; L51-E205 HydrophobicContact CD2-CG 3.92Å; L51-E205 HydrophobicContact CG-CG 4.37Å; E205-A207 VanDerWaalsContact CD-N 3.3Å; E205-A207 PolarHBondContact O-N 3.17Å; E205-A207 WeakPolarHBondContact OE1-CB 3.36Å; E205-A207 PolarHBondContact OE1-N 3.41Å; E205-A207 PolarHBondContact OE2-N 3.46Å; E205-A207 VanDerWaalsContact OE2-N 3.15Å; E205-T208 VanDerWaalsContact OE2-CB 3.28Å; E205-T208 WeakPolarHBondContact OE2-CB 3.2Å; E205-T208 VanDerWaalsContact OE2-CG2 3.29Å; E205-T208 WeakPolarHBondContact OE2-CG2 3.42Å; E205-T208 PolarHBondContact OE2-N 3.48Å; E205-T208 PolarHBondContact OE2-OG1 2.81Å; E205-F209 WeakPolarHBondContact O-CA 3.48Å; E205-F209 PolarHBondContact O-N 3.33Å; E205-L210 PolarHBondContact N-O 2.88Å; E205-I212 HydrophobicContact CB-CG2 3.89Å
206	K	95.1	Very high	94.9	Very high	70 Å²	70	23.3 Å²	23.3	30%	0.304	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-37.9	-165.7	177.1	173.7	-172.1	172.8	0	114.6	K237 T266 N267 Y269	K206-K237 PolarHBondContact O-NZ 2.96Å; K206-T266 WeakPolarHBondContact CD-O 3.28Å; K206-T266 PolarHBondContact NZ-O 3.1Å; K206-T266 VanDerWaalsContact NZ-O 3.11Å; K206-N267 WeakPolarHBondContact CB-O 3.25Å; K206-N267 PolarHBondContact N-O 3.42Å; K206-Y269 HydrophobicContact CB-CD2 4.16Å; K206-Y269 HydrophobicContact CD-CE2 4.43Å; K206-Y269 HydrophobicContact CG-CD2 3.87Å; K206-Y269 HydrophobicContact CG-CE2 3.79Å
207	A	94	Very high	94.9	Very high	51 Å²	51	29.6 Å²	29.6	42%	0.421	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-51.6	-176.8	0	0	0	0	0	111.2	E205 K234 K237	E205-A207 VanDerWaalsContact CD-N 3.3Å; E205-A207 PolarHBondContact O-N 3.17Å; E205-A207 WeakPolarHBondContact OE1-CB 3.36Å; E205-A207 PolarHBondContact OE1-N 3.41Å; E205-A207 PolarHBondContact OE2-N 3.46Å; E205-A207 VanDerWaalsContact OE2-N 3.15Å; A207-K234 PolarHBondContact O-NZ 3.39Å; A207-K237 PolarHBondContact O-NZ 3.48Å
208	T	95.4	Very high	94.7	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.012	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-25.1	-171	62.6	0	0	0	0	113.5	I25 F26 F50 E205 L210	I25-T208 HydrophobicContact CG2-CG2 4.2Å; F26-T208 HydrophobicContact CD1-CG2 3.55Å; F26-T208 HydrophobicContact CE1-CG2 3.76Å; F50-T208 HydrophobicContact CE2-CG2 4.24Å; E205-T208 VanDerWaalsContact OE2-CB 3.28Å; E205-T208 WeakPolarHBondContact OE2-CB 3.2Å; E205-T208 VanDerWaalsContact OE2-CG2 3.29Å; E205-T208 WeakPolarHBondContact OE2-CG2 3.42Å; E205-T208 PolarHBondContact OE2-N 3.48Å; E205-T208 PolarHBondContact OE2-OG1 2.81Å; T208-L210 PolarHBondContact O-N 3.01Å; T208-L210 WeakPolarHBondContact OG1-CG 3.49Å; T208-L210 PolarHBondContact OG1-N 3.26Å
209	F	96.6	Very high	94.4	Very high	1 Å²	1	35.4 Å²	35.4	0%	0.004	17%	0.174	C	C	.	.			trans	61	20.9	-167.8	-91.8	-95.2	0	0	0	114	F204 E205 S230 I233 K234 K237 F247 Y269	F204-F209 HydrophobicContact CB-CD1 4.23Å; F204-F209 HydrophobicContact CD1-CD1 4.3Å; F204-F209 WeakPolarHBondContact CD1-O 3.4Å; F204-F209 HydrophobicContact CG-CD1 4.2Å; E205-F209 WeakPolarHBondContact O-CA 3.48Å; E205-F209 PolarHBondContact O-N 3.33Å; F209-S230 WeakPolarHBondContact O-CB 3.17Å; F209-S230 PolarHBondContact O-OG 2.98Å; F209-I233 HydrophobicContact CD1-CB 3.96Å; F209-I233 HydrophobicContact CD1-CG2 3.67Å; F209-I233 HydrophobicContact CE1-CB 3.94Å; F209-I233 HydrophobicContact CE1-CG2 3.17Å; F209-I233 HydrophobicContact CE2-CG2 4.41Å; F209-I233 HydrophobicContact CG-CG2 4.46Å; F209-I233 HydrophobicContact CZ-CG2 3.59Å; F209-K234 HydrophobicContact CB-CB 4.3Å; F209-K237 HydrophobicContact CD2-CD 3.98Å; F209-K237 HydrophobicContact CE2-CD 3.65Å; F209-F247 HydrophobicContact CZ-CD1 4.24Å; F209-F247 HydrophobicContact CZ-CE1 4.24Å; F209-Y269 HydrophobicContact CE1-CD2 4.4Å; F209-Y269 HydrophobicContact CE1-CG 4.11Å; F209-Y269 AromaticContact CE2-CD2 3.9Å; F209-Y269 HydrophobicContact CE2-CD2 3.9Å; F209-Y269 HydrophobicContact CE2-CE2 4.07Å; F209-Y269 HydrophobicContact CE2-CG 4.41Å; F209-Y269 HydrophobicContact CZ-CD1 4.01Å; F209-Y269 AromaticContact CZ-CD2 3.55Å; F209-Y269 HydrophobicContact CZ-CD2 3.55Å; F209-Y269 HydrophobicContact CZ-CE1 4.32Å; F209-Y269 AromaticContact CZ-CE2 3.88Å; F209-Y269 HydrophobicContact CZ-CE2 3.88Å; F209-Y269 AromaticContact CZ-CG 3.61Å; F209-Y269 HydrophobicContact CZ-CG 3.61Å
210	L	97.4	Very high	94.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.185	C	C	.	.			trans	-67	135	168.2	-66.9	176.9	0	0	0	109.8	I25 F50 Y168 W171 V175 F204 E205 T208 I212	I25-L210 HydrophobicContact CD1-CD2 4.35Å; I25-L210 HydrophobicContact CG2-CD1 3.97Å; I25-L210 HydrophobicContact CG2-CD2 4.46Å; I25-L210 HydrophobicContact CG2-CG 4.34Å; F50-L210 HydrophobicContact CE2-CD1 4.17Å; F50-L210 HydrophobicContact CZ-CB 4.45Å; F50-L210 HydrophobicContact CZ-CD1 4.39Å; Y168-L210 HydrophobicContact CD1-CD2 4.02Å; W171-L210 HydrophobicContact CB-CD1 4.06Å; W171-L210 HydrophobicContact CB-CD2 3.73Å; V175-L210 HydrophobicContact CB-CD1 4.49Å; V175-L210 HydrophobicContact CG1-CD1 3.85Å; V175-L210 HydrophobicContact CG2-CB 4.38Å; V175-L210 HydrophobicContact CG2-CD1 3.84Å; F204-L210 CarbonylContact C-O 3.52Å; F204-L210 VanDerWaalsContact CA-O 3.29Å; F204-L210 WeakPolarHBondContact CA-O 3.45Å; E205-L210 PolarHBondContact N-O 2.88Å; T208-L210 PolarHBondContact O-N 3.01Å; T208-L210 WeakPolarHBondContact OG1-CG 3.49Å; T208-L210 PolarHBondContact OG1-N 3.26Å; L210-I212 PolarHBondContact O-N 2.9Å
211	V	96.7	Very high	94	Very high	14 Å²	14	49.9 Å²	49.9	9%	0.085	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	127.8	169.6	-177.5	0	0	0	0	108.8	S172 L203 F204 F226 S230	S172-V211 PolarHBondContact OG-N 2.84Å; S172-V211 PolarHBondContact OG-O 3.1Å; S172-V211 VanDerWaalsContact OG-O 3.07Å; L203-V211 WeakPolarHBondContact O-CA 3.4Å; F204-V211 HydrophobicContact CD1-CG2 3.77Å; F204-V211 HydrophobicContact CE1-CG2 3.53Å; F204-V211 HydrophobicContact CZ-CG2 4.48Å; V211-F226 HydrophobicContact CG2-CB 4.11Å; V211-S230 WeakPolarHBondContact CG2-OG 3.39Å
212	I	94.3	Very high	93.8	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.015	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-29.9	178.6	65.4	178.7	0	0	0	112.6	F50 L51 I179 L185 L203 E205 L210 T268	F50-I212 HydrophobicContact CE1-CG2 3.94Å; F50-I212 HydrophobicContact CZ-CG2 4.02Å; L51-I212 HydrophobicContact CD1-CD1 3.96Å; L51-I212 HydrophobicContact CD1-CG2 4.35Å; L51-I212 HydrophobicContact CD2-CD1 3.54Å; L51-I212 HydrophobicContact CD2-CG2 4.45Å; L51-I212 HydrophobicContact CG-CD1 4.4Å; I179-I212 HydrophobicContact CD1-CB 3.83Å; I179-I212 HydrophobicContact CD1-CG2 3.92Å; L185-I212 HydrophobicContact CD2-CD1 4.03Å; L185-I212 HydrophobicContact CD2-CG1 4.3Å; L203-I212 HydrophobicContact CB-CD1 4.42Å; L203-I212 HydrophobicContact CB-CG1 3.92Å; L203-I212 HydrophobicContact CD2-CD1 3.59Å; L203-I212 HydrophobicContact CD2-CG1 3.83Å; L203-I212 HydrophobicContact CG-CD1 3.65Å; L203-I212 HydrophobicContact CG-CG1 3.71Å; L203-I212 WeakPolarHBondContact O-CG1 3.42Å; L203-I212 PolarHBondContact O-N 2.9Å; E205-I212 HydrophobicContact CB-CG2 3.89Å; L210-I212 PolarHBondContact O-N 2.9Å; I212-T268 HydrophobicContact CD1-CG2 3.81Å
213	S	94.2	Very high	93.6	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.014	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	159	179.4	-176.8	0	0	0	0	108.8	E186 L203	E186-S213 VanDerWaalsContact CG-OG 3.26Å; E186-S213 WeakPolarHBondContact CG-OG 3.47Å; L203-S213 PolarHBondContact N-O 2.77Å
214	Y	95.2	Very high	93.3	Very high	107 Å²	107	60.2 Å²	60.2	42%	0.42	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	159.4	175.1	63.7	-85.1	0	0	0	110.8	I201 L202 Q216 F226	I201-Y214 CarbonylContact O-C 3.57Å; I201-Y214 WeakPolarHBondContact O-CA 3.37Å; I201-Y214 WeakPolarHBondContact O-CB 3.19Å; L202-Y214 HydrophobicContact CD2-CG 4.49Å; Y214-Q216 HydrophobicContact CD2-CB 4.27Å; Y214-Q216 HydrophobicContact CE2-CB 4.49Å; Y214-F226 HydrophobicContact CD1-CD2 4.46Å; Y214-F226 AromaticContact CD1-CE2 3.92Å; Y214-F226 HydrophobicContact CD1-CE2 3.92Å; Y214-F226 HydrophobicContact CD1-CZ 4.35Å; Y214-F226 AromaticContact CD2-CE2 3.91Å; Y214-F226 HydrophobicContact CD2-CE2 3.91Å; Y214-F226 AromaticContact CD2-CZ 3.63Å; Y214-F226 HydrophobicContact CD2-CZ 3.63Å; Y214-F226 AromaticContact CE1-CE2 3.91Å; Y214-F226 HydrophobicContact CE1-CE2 3.91Å; Y214-F226 AromaticContact CE2-CE2 3.88Å; Y214-F226 HydrophobicContact CE2-CE2 3.88Å; Y214-F226 AromaticContact CE2-CZ 3.9Å; Y214-F226 HydrophobicContact CE2-CZ 3.9Å; Y214-F226 AromaticContact CG-CE2 3.93Å; Y214-F226 HydrophobicContact CG-CE2 3.93Å; Y214-F226 AromaticContact CG-CZ 3.88Å; Y214-F226 HydrophobicContact CG-CZ 3.88Å; Y214-F226 AromaticContact CZ-CE2 3.89Å
215	S	95	Very high	93.2	Very high	9 Å²	9	61.5 Å²	61.5	6%	0.063	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.4	167	177.6	0	0	0	0	108	S193 E200 I201	S193-S215 WeakPolarHBondContact CB-OG 3.27Å; S193-S215 PolarHBondContact OG-OG 2.55Å; E200-S215 CarbonylContact C-O 3.57Å; E200-S215 VanDerWaalsContact CA-O 3.29Å; E200-S215 WeakPolarHBondContact CA-O 3.46Å; I201-S215 PolarHBondContact N-O 3.35Å; I201-S215 PolarHBondContact O-N 3.22Å
216	Q	93.4	Very high	93.2	Very high	71 Å²	71	62.5 Å²	62.5	33%	0.332	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	118.2	-176.8	-179.1	-173.4	-15.1	0	0	109.2	Y214 R218	Y214-Q216 HydrophobicContact CD2-CB 4.27Å; Y214-Q216 HydrophobicContact CE2-CB 4.49Å; Q216-R218 WeakPolarHBondContact CG-O 3.31Å; Q216-R218 PolarHBondContact NE2-O 2.84Å
217	R	90.3	Very high	93.3	Very high	135 Å²	135	59.7 Å²	59.7	51%	0.509	28%	0.283	S	S	.	.	S	Bend	trans	-101.9	-23.7	178	-70.5	179.2	52.6	127.2	-6	112.5	S193 S194 A198 D199	S193-R217 WeakPolarHBondContact OG-CD 3.36Å; S194-R217 VanDerWaalsContact CA-NH1 3.28Å; S194-R217 VanDerWaalsContact CB-NH1 3.33Å; S194-R217 PolarHBondContact OG-NH1 2.84Å; A198-R217 VanDerWaalsContact O-CD 3.28Å; A198-R217 WeakPolarHBondContact O-CD 3.28Å; D199-R217 PolarHBondContact O-N 3.47Å
218	R	86.7	Confident	93.4	Very high	129 Å²	129	60.5 Å²	60.5	49%	0.487	28%	0.278	S	S	.	.	S	Bend	trans	-113.7	140.4	174	-64.4	-164.7	-174	-172.9	2	111.6	D199 Q216 H220 S275	D199-R218 HydrophobicContact CB-CB 4.44Å; D199-R218 HydrophobicContact CB-CG 4.13Å; D199-R218 VanDerWaalsContact CG-CD 3.45Å; D199-R218 VanDerWaalsContact CG-NE 3.29Å; D199-R218 PolarHBondContact O-N 2.78Å; D199-R218 VanDerWaalsContact OD1-CD 3.31Å; D199-R218 WeakPolarHBondContact OD1-CD 3.35Å; D199-R218 IonicContact OD1-CZ 3.39Å; D199-R218 VanDerWaalsContact OD1-CZ 3.26Å; D199-R218 IonicContact OD1-NE 3.26Å; D199-R218 PolarHBondContact OD1-NE 2.82Å; D199-R218 IonicContact OD1-NH2 3.7Å; D199-R218 PolarHBondContact OD1-NH2 3.28Å; D199-R218 IonicContact OD2-CZ 2.58Å; D199-R218 IonicContact OD2-NE 3.55Å; D199-R218 PolarHBondContact OD2-NE 3.23Å; D199-R218 IonicContact OD2-NH1 3.8Å; Q216-R218 WeakPolarHBondContact CG-O 3.31Å; Q216-R218 PolarHBondContact NE2-O 2.84Å; R218-H220 PolarHBondContact O-CD2 2.66Å; R218-H220 PolarHBondContact O-NE2 3.14Å; R218-S275 PolarHBondContact NH1-OG 3.39Å; R218-S275 PolarHBondContact NH2-OG 2.84Å
219	S	87.3	Confident	93.5	Very high	120 Å²	120	61.8 Å²	61.8	84%	0.839	28%	0.284	S	S	*	.			trans	-71.9	132.8	172.3	-70.1	0	0	0	0	110.5
220	H	89.6	Confident	93.5	Very high	67 Å²	67	61.7 Å²	61.7	31%	0.31	28%	0.284	S	S	.	.			trans	-111.8	146.2	176.2	-65.2	-86.9	0	0	0	110.2	E200 R218	E200-H220 IonicContact OE2-CD2 3.76Å; E200-H220 IonicContact OE2-NE2 3.47Å; R218-H220 PolarHBondContact O-CD2 2.66Å; R218-H220 PolarHBondContact O-NE2 3.14Å
221	R	91	Very high	93.4	Very high	257 Å²	257	63.2 Å²	63.2	97%	0.97	29%	0.292	S	S	*	.	S	Bend	trans	-65.7	-39.3	179.6	-65.5	-177	-178.5	-178	0.3	112.5	V223	R221-V223 PolarHBondContact O-N 3.37Å
222	D	92.9	Very high	93.4	Very high	57 Å²	57	67.8 Å²	67.8	31%	0.305	32%	0.315	S	S	.	.			trans	-87.9	103.3	-179.4	-170.3	-2.8	0	0	0	110.7	H224 R225 K228	D222-H224 PolarHBondContact O-N 2.62Å; D222-H224 WeakPolarHBondContact OD1-CA 3.28Å; D222-H224 WeakPolarHBondContact OD1-CB 3.34Å; D222-H224 PolarHBondContact OD1-N 2.84Å; D222-R225 HydrophobicContact CB-CB 4.33Å; D222-R225 WeakPolarHBondContact O-CG 3.2Å; D222-R225 PolarHBondContact O-NH1 3.38Å; D222-K228 IonicContact OD1-NZ 2.73Å; D222-K228 PolarHBondContact OD1-NZ 2.84Å; D222-K228 WeakPolarHBondContact OD2-CD 3.39Å; D222-K228 IonicContact OD2-NZ 2.85Å; D222-K228 PolarHBondContact OD2-NZ 2.88Å
223	V	91	Very high	93.4	Very high	98 Å²	98	68 Å²	68	59%	0.594	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-13.6	176.1	-60.8	0	0	0	0	113	R221	R221-V223 PolarHBondContact O-N 3.37Å
224	H	91.8	Very high	93.5	Very high	64 Å²	64	68 Å²	68	30%	0.296	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	7.3	-178.5	-62.4	-68.2	0	0	0	113.5	K169 D222 F226 E227 K228	K169-H224 PolarHBondContact NZ-CE1 3.21Å; K169-H224 VanDerWaalsContact NZ-CE1 3.3Å; K169-H224 PolarHBondContact NZ-ND1 2.79Å; D222-H224 PolarHBondContact O-N 2.62Å; D222-H224 WeakPolarHBondContact OD1-CA 3.28Å; D222-H224 WeakPolarHBondContact OD1-CB 3.34Å; D222-H224 PolarHBondContact OD1-N 2.84Å; H224-F226 PolarHBondContact O-N 2.97Å; H224-E227 VanDerWaalsContact CA-CD 3.44Å; H224-E227 VanDerWaalsContact CA-OE1 3.25Å; H224-E227 WeakPolarHBondContact CA-OE1 3.18Å; H224-E227 HydrophobicContact CB-CG 4.43Å; H224-E227 VanDerWaalsContact CB-OE1 3.29Å; H224-E227 WeakPolarHBondContact CB-OE1 3.25Å; H224-E227 IonicContact CE1-OE1 3.47Å; H224-E227 IonicContact CG-OE1 3.46Å; H224-E227 IonicContact ND1-OE1 3.16Å; H224-E227 PolarHBondContact ND1-OE1 2.7Å; H224-E227 VanDerWaalsContact O-CG 3.26Å; H224-E227 WeakPolarHBondContact O-CG 3.33Å; H224-K228 WeakPolarHBondContact O-CG 3.09Å; H224-K228 PolarHBondContact O-N 2.9Å
225	R	94.7	Very high	93.4	Very high	28 Å²	28	66.3 Å²	66.3	11%	0.106	31%	0.311	C	S	.	.	H	α-helix	trans	-60.9	-30.7	-174.1	70.1	-170.5	174.8	-70.4	-4.5	113.5	E200 D222 K228 I229	E200-R225 IonicContact OE1-NE 3.96Å; E200-R225 PolarHBondContact OE1-NE 3.16Å; E200-R225 VanDerWaalsContact OE1-NE 3.16Å; E200-R225 IonicContact OE2-CZ 3.76Å; E200-R225 IonicContact OE2-NE 2.71Å; E200-R225 PolarHBondContact OE2-NE 2.9Å; E200-R225 IonicContact OE2-NH2 3.53Å; E200-R225 PolarHBondContact OE2-NH2 3.25Å; D222-R225 HydrophobicContact CB-CB 4.33Å; D222-R225 WeakPolarHBondContact O-CG 3.2Å; D222-R225 PolarHBondContact O-NH1 3.38Å; R225-K228 PolarHBondContact O-N 2.81Å; R225-I229 WeakPolarHBondContact O-CB 3.41Å; R225-I229 WeakPolarHBondContact O-CD1 2.82Å; R225-I229 WeakPolarHBondContact O-CG1 3.2Å; R225-I229 PolarHBondContact O-N 2.82Å
226	F	95.3	Very high	93.4	Very high	27 Å²	27	70.3 Å²	70.3	12%	0.118	33%	0.328	C	S	.	.	H	α-helix	trans	-62.6	-54	-176.7	-62.3	-22	0	0	0	111.5	E200 L202 V211 Y214 H224 K228 I229 S230	E200-F226 WeakPolarHBondContact OE2-CE1 3.31Å; L202-F226 HydrophobicContact CD1-CD1 3.88Å; L202-F226 HydrophobicContact CD1-CE1 4.44Å; L202-F226 HydrophobicContact CD2-CD1 3.46Å; L202-F226 VanDerWaalsContact CD2-CD1 3.46Å; L202-F226 HydrophobicContact CD2-CE1 3.35Å; L202-F226 HydrophobicContact CD2-CG 4.36Å; L202-F226 HydrophobicContact CD2-CZ 4.15Å; L202-F226 HydrophobicContact CG-CD1 4.34Å; V211-F226 HydrophobicContact CG2-CB 4.11Å; Y214-F226 HydrophobicContact CD1-CD2 4.46Å; Y214-F226 AromaticContact CD1-CE2 3.92Å; Y214-F226 HydrophobicContact CD1-CE2 3.92Å; Y214-F226 HydrophobicContact CD1-CZ 4.35Å; Y214-F226 AromaticContact CD2-CE2 3.91Å; Y214-F226 HydrophobicContact CD2-CE2 3.91Å; Y214-F226 AromaticContact CD2-CZ 3.63Å; Y214-F226 HydrophobicContact CD2-CZ 3.63Å; Y214-F226 AromaticContact CE1-CE2 3.91Å; Y214-F226 HydrophobicContact CE1-CE2 3.91Å; Y214-F226 AromaticContact CE2-CE2 3.88Å; Y214-F226 HydrophobicContact CE2-CE2 3.88Å; Y214-F226 AromaticContact CE2-CZ 3.9Å; Y214-F226 HydrophobicContact CE2-CZ 3.9Å; Y214-F226 AromaticContact CG-CE2 3.93Å; Y214-F226 HydrophobicContact CG-CE2 3.93Å; Y214-F226 AromaticContact CG-CZ 3.88Å; Y214-F226 HydrophobicContact CG-CZ 3.88Å; Y214-F226 AromaticContact CZ-CE2 3.89Å; H224-F226 PolarHBondContact O-N 2.97Å; F226-K228 VanDerWaalsContact C-N 3.32Å; F226-K228 PolarHBondContact O-N 3.02Å; F226-I229 PolarHBondContact O-N 3.41Å; F226-S230 PolarHBondContact O-N 2.77Å; F226-S230 PolarHBondContact O-OG 3.41Å
227	E	96	Very high	93.4	Very high	11 Å²	11	68.7 Å²	68.7	5%	0.051	32%	0.32	C	S	.	.	H	α-helix	trans	-67.2	-33.3	178.1	59.8	-93	-140.4	0	0	112.3	E165 K169 H224 S230 N231	E165-E227 HydrophobicContact CB-CB 4.01Å; E165-E227 HydrophobicContact CB-CG 3.78Å; E165-E227 HydrophobicContact CG-CB 4.33Å; E165-E227 HydrophobicContact CG-CG 3.53Å; E165-E227 WeakPolarHBondContact O-CB 3.35Å; K169-E227 HydrophobicContact CB-CB 3.93Å; K169-E227 HydrophobicContact CB-CG 3.96Å; K169-E227 WeakPolarHBondContact CD-OE1 3.09Å; H224-E227 VanDerWaalsContact CA-CD 3.44Å; H224-E227 VanDerWaalsContact CA-OE1 3.25Å; H224-E227 WeakPolarHBondContact CA-OE1 3.18Å; H224-E227 HydrophobicContact CB-CG 4.43Å; H224-E227 VanDerWaalsContact CB-OE1 3.29Å; H224-E227 WeakPolarHBondContact CB-OE1 3.25Å; H224-E227 IonicContact CE1-OE1 3.47Å; H224-E227 IonicContact CG-OE1 3.46Å; H224-E227 IonicContact ND1-OE1 3.16Å; H224-E227 PolarHBondContact ND1-OE1 2.7Å; H224-E227 VanDerWaalsContact O-CG 3.26Å; H224-E227 WeakPolarHBondContact O-CG 3.33Å; E227-S230 WeakPolarHBondContact O-CB 3.41Å; E227-S230 PolarHBondContact O-N 2.86Å; E227-N231 WeakPolarHBondContact O-CB 3.33Å; E227-N231 PolarHBondContact O-N 3.4Å
228	K	96.8	Very high	93.6	Very high	69 Å²	69	63 Å²	63	30%	0.3	30%	0.299	S	S	.	.	H	α-helix	trans	-62.2	-46.8	172.6	-70.9	176.3	-176	174.4	0	111.3	E165 D222 H224 R225 F226 N231 I232	E165-K228 HydrophobicContact CB-CG 4.18Å; E165-K228 HydrophobicContact CG-CG 3.71Å; E165-K228 WeakPolarHBondContact OE1-CE 3.46Å; D222-K228 IonicContact OD1-NZ 2.73Å; D222-K228 PolarHBondContact OD1-NZ 2.84Å; D222-K228 WeakPolarHBondContact OD2-CD 3.39Å; D222-K228 IonicContact OD2-NZ 2.85Å; D222-K228 PolarHBondContact OD2-NZ 2.88Å; H224-K228 WeakPolarHBondContact O-CG 3.09Å; H224-K228 PolarHBondContact O-N 2.9Å; R225-K228 PolarHBondContact O-N 2.81Å; F226-K228 VanDerWaalsContact C-N 3.32Å; F226-K228 PolarHBondContact O-N 3.02Å; K228-N231 PolarHBondContact O-N 2.86Å; K228-I232 WeakPolarHBondContact O-CB 3.31Å; K228-I232 WeakPolarHBondContact O-CD1 3.32Å; K228-I232 VanDerWaalsContact O-CG1 3.22Å; K228-I232 WeakPolarHBondContact O-CG1 3.45Å; K228-I232 PolarHBondContact O-N 3.35Å
229	I	96.5	Very high	93.9	Very high	28 Å²	28	59.9 Å²	59.9	14%	0.144	30%	0.297	C	S	.	.	H	α-helix	trans	-61.9	-46.8	176.7	-69.8	161.6	0	0	0	110.2	L202 F204 R225 F226 N231 I232 I233 M271	L202-I229 HydrophobicContact CD1-CD1 3.67Å; L202-I229 HydrophobicContact CD1-CG2 4.48Å; F204-I229 HydrophobicContact CE1-CG2 4.14Å; F204-I229 HydrophobicContact CZ-CG2 3.67Å; R225-I229 WeakPolarHBondContact O-CB 3.41Å; R225-I229 WeakPolarHBondContact O-CD1 2.82Å; R225-I229 WeakPolarHBondContact O-CG1 3.2Å; R225-I229 PolarHBondContact O-N 2.82Å; F226-I229 PolarHBondContact O-N 3.41Å; I229-N231 VanDerWaalsContact C-N 3.3Å; I229-N231 PolarHBondContact O-N 2.6Å; I229-I232 PolarHBondContact O-N 2.96Å; I229-I233 HydrophobicContact CG2-CG1 4.12Å; I229-I233 WeakPolarHBondContact O-CG1 3.48Å; I229-I233 PolarHBondContact O-N 3.46Å; I229-M271 HydrophobicContact CD1-CE 3.88Å; I229-M271 HydrophobicContact CD1-SD 3.94Å; I229-M271 HydrophobicContact CG1-SD 4.44Å; I229-M271 HydrophobicContact CG2-SD 3.63Å
230	S	97	Very high	94.2	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-52.9	-48.2	174.6	-74.1	0	0	0	0	112.1	F209 V211 F226 E227 K234	F209-S230 WeakPolarHBondContact O-CB 3.17Å; F209-S230 PolarHBondContact O-OG 2.98Å; V211-S230 WeakPolarHBondContact CG2-OG 3.39Å; F226-S230 PolarHBondContact O-N 2.77Å; F226-S230 PolarHBondContact O-OG 3.41Å; E227-S230 WeakPolarHBondContact O-CB 3.41Å; E227-S230 PolarHBondContact O-N 2.86Å; S230-K234 WeakPolarHBondContact O-CB 2.95Å; S230-K234 PolarHBondContact O-N 2.79Å
231	N	96	Very high	94.3	Very high	32 Å²	32	54.6 Å²	54.6	17%	0.171	27%	0.268	C	S	.	.	H	α-helix	trans	-64.4	-50.8	179.1	-169.5	19.8	0	0	0	111.6	E165 Y168 E227 K228 I229 I233 K234 Q235	E165-N231 HydrophobicContact CB-CB 4.28Å; Y168-N231 HydrophobicContact CD2-CB 3.86Å; Y168-N231 HydrophobicContact CE2-CB 3.84Å; E227-N231 WeakPolarHBondContact O-CB 3.33Å; E227-N231 PolarHBondContact O-N 3.4Å; K228-N231 PolarHBondContact O-N 2.86Å; I229-N231 VanDerWaalsContact C-N 3.3Å; I229-N231 PolarHBondContact O-N 2.6Å; N231-I233 PolarHBondContact O-N 2.94Å; N231-K234 PolarHBondContact O-N 2.73Å; N231-Q235 WeakPolarHBondContact O-CG 3.42Å; N231-Q235 PolarHBondContact O-N 3.48Å
232	I	95.9	Very high	94.3	Very high	110 Å²	110	49.4 Å²	49.4	56%	0.564	25%	0.252	S	S	*	.	H	α-helix	trans	-56.2	-51.6	-179.6	-70.2	164.3	0	0	0	111	K228 I229 K234 Q235 F236	K228-I232 WeakPolarHBondContact O-CB 3.31Å; K228-I232 WeakPolarHBondContact O-CD1 3.32Å; K228-I232 VanDerWaalsContact O-CG1 3.22Å; K228-I232 WeakPolarHBondContact O-CG1 3.45Å; K228-I232 PolarHBondContact O-N 3.35Å; I229-I232 PolarHBondContact O-N 2.96Å; I232-K234 PolarHBondContact O-N 2.91Å; I232-Q235 PolarHBondContact O-N 2.92Å; I232-F236 WeakPolarHBondContact O-CB 3.44Å; I232-F236 PolarHBondContact O-N 2.9Å
233	I	95.6	Very high	94.3	Very high	8 Å²	8	53.6 Å²	53.6	4%	0.041	27%	0.274	C	S	.	.	H	α-helix	trans	-70.5	-34.9	-176.4	-57.5	-61.8	0	0	0	111.2	F209 I229 N231 F236 K237 F247 M250 I261	F209-I233 HydrophobicContact CD1-CB 3.96Å; F209-I233 HydrophobicContact CD1-CG2 3.67Å; F209-I233 HydrophobicContact CE1-CB 3.94Å; F209-I233 HydrophobicContact CE1-CG2 3.17Å; F209-I233 HydrophobicContact CE2-CG2 4.41Å; F209-I233 HydrophobicContact CG-CG2 4.46Å; F209-I233 HydrophobicContact CZ-CG2 3.59Å; I229-I233 HydrophobicContact CG2-CG1 4.12Å; I229-I233 WeakPolarHBondContact O-CG1 3.48Å; I229-I233 PolarHBondContact O-N 3.46Å; N231-I233 PolarHBondContact O-N 2.94Å; I233-F236 PolarHBondContact O-N 3.18Å; I233-K237 VanDerWaalsContact O-CB 3.28Å; I233-K237 WeakPolarHBondContact O-CB 3.43Å; I233-K237 PolarHBondContact O-N 3.38Å; I233-F247 HydrophobicContact CG2-CD1 4.37Å; I233-F247 HydrophobicContact CG2-CE1 3.88Å; I233-F247 HydrophobicContact CG2-CZ 4.38Å; I233-M250 HydrophobicContact CD1-CE 4.23Å; I233-M250 HydrophobicContact CD1-SD 4.12Å; I233-I261 HydrophobicContact CD1-CD1 3.34Å; I233-I261 HydrophobicContact CG1-CD1 3.76Å
234	K	95.1	Very high	94.3	Very high	1 Å²	1	52 Å²	52	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-61.9	-47.8	172.9	-176.4	66	161.3	-165.3	0	111.2	N28 Y168 A207 F209 S230 N231 I232 F236 K237 L238	N28-K234 WeakPolarHBondContact OD1-CE 3.34Å; N28-K234 PolarHBondContact OD1-NZ 3.23Å; Y168-K234 HydrophobicContact CE1-CB 4.38Å; Y168-K234 HydrophobicContact CE1-CG 4.44Å; Y168-K234 VanDerWaalsContact OH-CG 3.31Å; Y168-K234 WeakPolarHBondContact OH-CG 3.48Å; A207-K234 PolarHBondContact O-NZ 3.39Å; F209-K234 HydrophobicContact CB-CB 4.3Å; S230-K234 WeakPolarHBondContact O-CB 2.95Å; S230-K234 PolarHBondContact O-N 2.79Å; N231-K234 PolarHBondContact O-N 2.73Å; I232-K234 PolarHBondContact O-N 2.91Å; K234-F236 VanDerWaalsContact C-N 3.31Å; K234-F236 PolarHBondContact O-N 3.44Å; K234-K237 PolarHBondContact O-N 3.18Å; K234-L238 HydrophobicContact CG-CD1 4.39Å; K234-L238 VanDerWaalsContact O-CG 3.27Å; K234-L238 WeakPolarHBondContact O-CG 3.48Å; K234-L238 PolarHBondContact O-N 2.86Å
235	Q	93.8	Very high	94.3	Very high	71 Å²	71	52.7 Å²	52.7	33%	0.332	29%	0.286	S	S	.	.	H	α-helix	trans	-61.3	-40.3	177	-66.1	-55.5	-35.5	0	0	112	N231 I232 L238 S239	N231-Q235 WeakPolarHBondContact O-CG 3.42Å; N231-Q235 PolarHBondContact O-N 3.48Å; I232-Q235 PolarHBondContact O-N 2.92Å; Q235-L238 PolarHBondContact O-N 3.07Å; Q235-S239 PolarHBondContact O-N 3.34Å; Q235-S239 PolarHBondContact O-OG 3.27Å
236	F	94.5	Very high	94	Very high	93 Å²	93	59.1 Å²	59.1	41%	0.408	32%	0.317	S	S	.	.	H	α-helix	trans	-62.9	-48	174.9	-174.4	-108.1	0	0	0	111.8	I232 I233 K234 L238 S239 C240 F247 M250	I232-F236 WeakPolarHBondContact O-CB 3.44Å; I232-F236 PolarHBondContact O-N 2.9Å; I233-F236 PolarHBondContact O-N 3.18Å; K234-F236 VanDerWaalsContact C-N 3.31Å; K234-F236 PolarHBondContact O-N 3.44Å; F236-L238 VanDerWaalsContact C-N 3.33Å; F236-L238 PolarHBondContact O-N 3.45Å; F236-S239 WeakPolarHBondContact O-CA 3.39Å; F236-S239 WeakPolarHBondContact O-CB 3.19Å; F236-S239 PolarHBondContact O-N 3.34Å; F236-C240 PolarHBondContact O-N 2.98Å; F236-C240 PolarHBondContact O-SG 3.48Å; F236-C240 VanDerWaalsContact O-SG 3.4Å; F236-F247 AromaticContact CD1-CD2 3.79Å; F236-F247 HydrophobicContact CD1-CD2 3.79Å; F236-F247 AromaticContact CD1-CE2 3.95Å; F236-F247 HydrophobicContact CD1-CE2 3.95Å; F236-F247 HydrophobicContact CD1-CG 4.5Å; F236-F247 AromaticContact CE1-CD2 3.6Å; F236-F247 HydrophobicContact CE1-CD2 3.6Å; F236-F247 AromaticContact CE1-CE2 3.76Å; F236-F247 HydrophobicContact CE1-CE2 3.76Å; F236-M250 HydrophobicContact CD1-CE 3.41Å; F236-M250 VanDerWaalsContact CD1-CE 3.41Å; F236-M250 HydrophobicContact CD2-CE 4.48Å; F236-M250 HydrophobicContact CE1-CE 3.37Å; F236-M250 HydrophobicContact CE2-CE 4.46Å; F236-M250 HydrophobicContact CG-CE 3.99Å; F236-M250 HydrophobicContact CZ-CE 3.94Å
237	K	94.1	Very high	93.9	Very high	37 Å²	37	58.7 Å²	58.7	16%	0.161	32%	0.315	C	S	.	.	H	α-helix	trans	-56.6	-45.2	175.9	178.8	-175.4	178.5	-171	0	111.9	K206 A207 F209 I233 K234 S239 C240 S241 F247	K206-K237 PolarHBondContact O-NZ 2.96Å; A207-K237 PolarHBondContact O-NZ 3.48Å; F209-K237 HydrophobicContact CD2-CD 3.98Å; F209-K237 HydrophobicContact CE2-CD 3.65Å; I233-K237 VanDerWaalsContact O-CB 3.28Å; I233-K237 WeakPolarHBondContact O-CB 3.43Å; I233-K237 PolarHBondContact O-N 3.38Å; K234-K237 PolarHBondContact O-N 3.18Å; K237-S239 VanDerWaalsContact C-N 3.27Å; K237-S239 PolarHBondContact O-N 3.02Å; K237-C240 PolarHBondContact O-N 2.92Å; K237-S241 PolarHBondContact O-N 3.38Å; K237-S241 PolarHBondContact O-OG 2.92Å; K237-F247 HydrophobicContact CB-CB 4.28Å; K237-F247 HydrophobicContact CG-CB 4.2Å
238	L	93.2	Very high	93.6	Very high	16 Å²	16	64.8 Å²	64.8	8%	0.084	34%	0.344	C	S	.	.	H	α-helix	trans	-62.5	-35.9	176.5	-67	178.3	0	0	0	111.8	N28 I30 K234 Q235 F236 S241 K242	N28-L238 HydrophobicContact CB-CD2 3.52Å; I30-L238 HydrophobicContact CG2-CD1 3.96Å; K234-L238 HydrophobicContact CG-CD1 4.39Å; K234-L238 VanDerWaalsContact O-CG 3.27Å; K234-L238 WeakPolarHBondContact O-CG 3.48Å; K234-L238 PolarHBondContact O-N 2.86Å; Q235-L238 PolarHBondContact O-N 3.07Å; F236-L238 VanDerWaalsContact C-N 3.33Å; F236-L238 PolarHBondContact O-N 3.45Å; L238-S241 PolarHBondContact O-N 2.61Å; L238-K242 WeakPolarHBondContact O-CG 3.22Å; L238-K242 PolarHBondContact O-N 2.93Å; L238-K242 VanDerWaalsContact O-N 3.13Å
239	S	93.8	Very high	93.4	Very high	64 Å²	64	64.7 Å²	64.7	45%	0.448	35%	0.352	S	S	.	.	H	α-helix	trans	-67.1	-42.9	175.7	-57.1	0	0	0	0	111.7	Q235 F236 K237 S241 K242 L243	Q235-S239 PolarHBondContact O-N 3.34Å; Q235-S239 PolarHBondContact O-OG 3.27Å; F236-S239 WeakPolarHBondContact O-CA 3.39Å; F236-S239 WeakPolarHBondContact O-CB 3.19Å; F236-S239 PolarHBondContact O-N 3.34Å; K237-S239 VanDerWaalsContact C-N 3.27Å; K237-S239 PolarHBondContact O-N 3.02Å; S239-S241 PolarHBondContact O-N 3.42Å; S239-K242 PolarHBondContact O-N 3.28Å; S239-L243 PolarHBondContact O-N 3.1Å
240	C	93.8	Very high	93.2	Very high	18 Å²	18	65.6 Å²	65.6	12%	0.122	36%	0.356	C	S	.	.	H	α-helix	trans	-59.1	-46	172.7	-61.3	0	0	0	0	111.9	F236 K237 K242 L243 G244 T245	F236-C240 PolarHBondContact O-N 2.98Å; F236-C240 PolarHBondContact O-SG 3.48Å; F236-C240 VanDerWaalsContact O-SG 3.4Å; K237-C240 PolarHBondContact O-N 2.92Å; C240-K242 VanDerWaalsContact C-N 3.29Å; C240-K242 PolarHBondContact O-N 3.48Å; C240-L243 CarbonylContact O-C 3.57Å; C240-L243 WeakPolarHBondContact O-CA 3.26Å; C240-L243 WeakPolarHBondContact O-CB 3.1Å; C240-L243 PolarHBondContact O-N 3.19Å; C240-G244 PolarHBondContact O-N 3.18Å; C240-T245 CarbonylContact C-O 3.59Å; C240-T245 PolarHBondContact O-N 2.87Å; C240-T245 VanDerWaalsContact O-N 3.14Å; C240-T245 VanDerWaalsContact O-O 3.07Å; C240-T245 PolarHBondContact O-OG1 3.38Å
241	S	92.1	Very high	93	Very high	58 Å²	58	69.8 Å²	69.8	41%	0.406	38%	0.375	S	S	.	.	H	α-helix	trans	-62.5	-34.2	-179.6	-63.2	0	0	0	0	113	K237 L238 S239 L243 G244 T245	K237-S241 PolarHBondContact O-N 3.38Å; K237-S241 PolarHBondContact O-OG 2.92Å; L238-S241 PolarHBondContact O-N 2.61Å; S239-S241 PolarHBondContact O-N 3.42Å; S241-L243 PolarHBondContact O-N 3.42Å; S241-G244 PolarHBondContact O-N 2.82Å; S241-T245 VanDerWaalsContact CA-O 3.29Å; S241-T245 WeakPolarHBondContact CA-O 3.4Å; S241-T245 PolarHBondContact N-O 2.98Å
242	K	90.7	Very high	92.8	Very high	147 Å²	147	71.9 Å²	71.9	64%	0.639	39%	0.386	S	S	*	.	H	α-helix	trans	-65	-25.7	172.8	-73.7	175.3	-179.2	178.5	0	113.1	L238 S239 C240 G244	L238-K242 WeakPolarHBondContact O-CG 3.22Å; L238-K242 PolarHBondContact O-N 2.93Å; L238-K242 VanDerWaalsContact O-N 3.13Å; S239-K242 PolarHBondContact O-N 3.28Å; C240-K242 VanDerWaalsContact C-N 3.29Å; C240-K242 PolarHBondContact O-N 3.48Å; K242-G244 VanDerWaalsContact C-N 3.29Å
243	L	92.4	Very high	92.6	Very high	145 Å²	145	70.3 Å²	70.3	76%	0.759	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	6	174.1	-59.9	174.5	0	0	0	112.7	S239 C240 S241 T245	S239-L243 PolarHBondContact O-N 3.1Å; C240-L243 CarbonylContact O-C 3.57Å; C240-L243 WeakPolarHBondContact O-CA 3.26Å; C240-L243 WeakPolarHBondContact O-CB 3.1Å; C240-L243 PolarHBondContact O-N 3.19Å; S241-L243 PolarHBondContact O-N 3.42Å; L243-T245 VanDerWaalsContact C-N 3.31Å; L243-T245 PolarHBondContact O-N 3.5Å
244	G	92.1	Very high	92.3	Very high	66 Å²	66	72.7 Å²	72.7	68%	0.68	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	11.6	-179.5	0	0	0	0	0	114.6	C240 S241 K242	C240-G244 PolarHBondContact O-N 3.18Å; S241-G244 PolarHBondContact O-N 2.82Å; K242-G244 VanDerWaalsContact C-N 3.29Å
245	T	91.1	Very high	92	Very high	77 Å²	77	80.3 Å²	80.3	47%	0.472	44%	0.435	S	S	.	.			trans	-114.7	160.8	178.7	64.4	0	0	0	0	111.7	C240 S241 L243	C240-T245 CarbonylContact C-O 3.59Å; C240-T245 PolarHBondContact O-N 2.87Å; C240-T245 VanDerWaalsContact O-N 3.14Å; C240-T245 VanDerWaalsContact O-O 3.07Å; C240-T245 PolarHBondContact O-OG1 3.38Å; S241-T245 VanDerWaalsContact CA-O 3.29Å; S241-T245 WeakPolarHBondContact CA-O 3.4Å; S241-T245 PolarHBondContact N-O 2.98Å; L243-T245 VanDerWaalsContact C-N 3.31Å; L243-T245 PolarHBondContact O-N 3.5Å
246	H	89.2	Confident	91.8	Very high	164 Å²	164	83 Å²	83	76%	0.759	45%	0.452	S	S	*	.			trans	-109.3	131.8	177.1	-62.8	85.4	0	0	0	109.2	Q248	H246-Q248 PolarHBondContact O-N 2.92Å
247	F	91.5	Very high	91.7	Very high	17 Å²	17	82.2 Å²	82.2	8%	0.075	45%	0.448	C	S	.	.			trans	-58.1	131.9	167.5	-178.9	-116.5	0	0	0	109.2	F209 I233 F236 K237 S249 M250 I261 Y269	F209-F247 HydrophobicContact CZ-CD1 4.24Å; F209-F247 HydrophobicContact CZ-CE1 4.24Å; I233-F247 HydrophobicContact CG2-CD1 4.37Å; I233-F247 HydrophobicContact CG2-CE1 3.88Å; I233-F247 HydrophobicContact CG2-CZ 4.38Å; F236-F247 AromaticContact CD1-CD2 3.79Å; F236-F247 HydrophobicContact CD1-CD2 3.79Å; F236-F247 AromaticContact CD1-CE2 3.95Å; F236-F247 HydrophobicContact CD1-CE2 3.95Å; F236-F247 HydrophobicContact CD1-CG 4.5Å; F236-F247 AromaticContact CE1-CD2 3.6Å; F236-F247 HydrophobicContact CE1-CD2 3.6Å; F236-F247 AromaticContact CE1-CE2 3.76Å; F236-F247 HydrophobicContact CE1-CE2 3.76Å; K237-F247 HydrophobicContact CB-CB 4.28Å; K237-F247 HydrophobicContact CG-CB 4.2Å; F247-S249 VanDerWaalsContact CE2-O 3.29Å; F247-S249 WeakPolarHBondContact CE2-O 3.37Å; F247-M250 HydrophobicContact CE2-CB 3.81Å; F247-M250 HydrophobicContact CE2-CE 3.98Å; F247-M250 HydrophobicContact CZ-CB 3.75Å; F247-M250 HydrophobicContact CZ-CE 4.37Å; F247-I261 HydrophobicContact CE1-CG2 3.85Å; F247-I261 HydrophobicContact CZ-CB 4.4Å; F247-I261 HydrophobicContact CZ-CG2 3.93Å; F247-Y269 AromaticContact CD1-CE1 3.78Å; F247-Y269 HydrophobicContact CD1-CE1 3.78Å; F247-Y269 AromaticContact CD1-CZ 3.83Å; F247-Y269 HydrophobicContact CE1-CD1 4.18Å; F247-Y269 AromaticContact CE1-CE1 3.6Å; F247-Y269 HydrophobicContact CE1-CE1 3.6Å; F247-Y269 PolarHBondContact O-OH 3.43Å
248	Q	89.7	Confident	91.7	Very high	139 Å²	139	80.4 Å²	80.4	65%	0.65	44%	0.44	S	S	*	.			trans	-120.4	-52.2	179.9	-178.8	178.3	-2.7	0	0	111.3	H246 T263 Y269	H246-Q248 PolarHBondContact O-N 2.92Å; Q248-T263 PolarHBondContact O-N 2.86Å; Q248-T263 PolarHBondContact O-OG1 3.35Å; Q248-Y269 WeakPolarHBondContact O-CE1 3.34Å; Q248-Y269 PolarHBondContact O-OH 2.95Å
249	S	92.7	Very high	91.7	Very high	67 Å²	67	79.8 Å²	79.8	47%	0.469	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	163.9	177.4	60.7	0	0	0	0	111.6	F247 I261	F247-S249 VanDerWaalsContact CE2-O 3.29Å; F247-S249 WeakPolarHBondContact CE2-O 3.37Å; S249-I261 CarbonylContact C-O 3.5Å; S249-I261 WeakPolarHBondContact CA-O 3.4Å; S249-I261 WeakPolarHBondContact CB-O 3.23Å
250	M	93.2	Very high	91.7	Very high	47 Å²	47	77 Å²	77	23%	0.232	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	139.6	173.7	-173.2	178.7	-71.4	0	0	109.1	I233 F236 F247 I252 I261	I233-M250 HydrophobicContact CD1-CE 4.23Å; I233-M250 HydrophobicContact CD1-SD 4.12Å; F236-M250 HydrophobicContact CD1-CE 3.41Å; F236-M250 VanDerWaalsContact CD1-CE 3.41Å; F236-M250 HydrophobicContact CD2-CE 4.48Å; F236-M250 HydrophobicContact CE1-CE 3.37Å; F236-M250 HydrophobicContact CE2-CE 4.46Å; F236-M250 HydrophobicContact CG-CE 3.99Å; F236-M250 HydrophobicContact CZ-CE 3.94Å; F247-M250 HydrophobicContact CE2-CB 3.81Å; F247-M250 HydrophobicContact CE2-CE 3.98Å; F247-M250 HydrophobicContact CZ-CB 3.75Å; F247-M250 HydrophobicContact CZ-CE 4.37Å; M250-I252 HydrophobicContact CG-CD1 4.45Å; M250-I252 HydrophobicContact CG-CG1 4.11Å; M250-I252 HydrophobicContact SD-CD1 3.9Å; M250-I252 HydrophobicContact SD-CG1 4.19Å; M250-I261 HydrophobicContact CB-CB 4.22Å; M250-I261 PolarHBondContact N-O 3.44Å; M250-I261 PolarHBondContact O-N 3.07Å
251	E	92.7	Very high	91.8	Very high	88 Å²	88	76.5 Å²	76.5	41%	0.411	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	130.6	171.3	172.6	179.1	-148.7	0	0	108.2	V253 A259 F260 R284	E251-V253 HydrophobicContact CG-CG2 3.77Å; E251-A259 WeakPolarHBondContact CA-O 3.43Å; E251-F260 HydrophobicContact CB-CD1 4.3Å; E251-F260 HydrophobicContact CB-CE1 4.31Å; E251-F260 HydrophobicContact CG-CD1 4.11Å; E251-F260 HydrophobicContact CG-CE1 3.66Å; E251-F260 HydrophobicContact CG-CZ 4.32Å; E251-F260 VanDerWaalsContact OE1-CE1 3.22Å; E251-F260 WeakPolarHBondContact OE1-CE1 3.47Å; E251-R284 IonicContact OE1-NH2 3.99Å; E251-R284 IonicContact OE2-CZ 3.3Å; E251-R284 IonicContact OE2-NH1 3.15Å; E251-R284 IonicContact OE2-NH2 2.67Å; E251-R284 PolarHBondContact OE2-NH2 2.74Å
252	I	92.4	Very high	91.9	Very high	77 Å²	77	75.3 Å²	75.3	40%	0.395	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	116.6	176.1	-56.1	173.6	0	0	0	106.9	M250 F257 A258 A259	M250-I252 HydrophobicContact CG-CD1 4.45Å; M250-I252 HydrophobicContact CG-CG1 4.11Å; M250-I252 HydrophobicContact SD-CD1 3.9Å; M250-I252 HydrophobicContact SD-CG1 4.19Å; I252-F257 HydrophobicContact CG2-CE2 4.27Å; I252-F257 HydrophobicContact CG2-CZ 4.35Å; I252-A258 CarbonylContact O-C 3.52Å; I252-A258 WeakPolarHBondContact O-CA 3.3Å; I252-A259 HydrophobicContact CB-CB 4.46Å; I252-A259 PolarHBondContact N-O 2.77Å; I252-A259 PolarHBondContact O-N 2.62Å
253	V	90.7	Very high	92.1	Very high	76 Å²	76	69.8 Å²	69.8	46%	0.461	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133.2	178.9	-176.8	0	0	0	0	109.1	E251 A258 P277	E251-V253 HydrophobicContact CG-CG2 3.77Å; V253-A258 HydrophobicContact CG1-CB 4.48Å; V253-A258 HydrophobicContact CG2-CB 4.03Å; V253-P277 HydrophobicContact CG1-CB 4.15Å
254	N	89.9	Confident	92.2	Very high	59 Å²	59	63 Å²	63	32%	0.316	35%	0.345	S	S	.	.			trans	-141.6	-175.8	168.2	66	41.4	0	0	0	110	N256 F257	N254-N256 PolarHBondContact O-N 3.29Å; N254-N256 VanDerWaalsContact O-N 3.09Å; N254-N256 WeakPolarHBondContact OD1-CA 3.4Å; N254-N256 WeakPolarHBondContact OD1-CB 3.45Å; N254-N256 PolarHBondContact OD1-N 3.22Å; N254-F257 PolarHBondContact N-O 3.46Å; N254-F257 VanDerWaalsContact ND2-CD1 3.31Å; N254-F257 WeakPolarHBondContact ND2-CD1 3.32Å; N254-F257 WeakPolarHBondContact ND2-CE1 3.42Å; N254-F257 WeakPolarHBondContact OD1-CD1 3.49Å; N254-F257 PolarHBondContact OD1-N 2.96Å; N254-F257 PolarHBondContact OD1-O 2.95Å
255	N	89.4	Confident	92.2	Very high	161 Å²	161	60.1 Å²	60.1	86%	0.861	31%	0.314	S	S	*	.	S	Bend	trans	-64.8	-13.1	-176.8	-61.3	-9.6	0	0	0	114.6
256	N	89.9	Confident	92.3	Very high	127 Å²	127	60.9 Å²	60.9	68%	0.679	32%	0.319	S	S	*	.	S	Bend	trans	-113.9	-26.7	-173.7	-58.8	-34.2	0	0	0	113.5	N254	N254-N256 PolarHBondContact O-N 3.29Å; N254-N256 VanDerWaalsContact O-N 3.09Å; N254-N256 WeakPolarHBondContact OD1-CA 3.4Å; N254-N256 WeakPolarHBondContact OD1-CB 3.45Å; N254-N256 PolarHBondContact OD1-N 3.22Å
257	F	92.1	Very high	92.5	Very high	76 Å²	76	54.9 Å²	54.9	33%	0.333	29%	0.293	S	S	.	.			trans	-158.8	158.8	-179.1	77.2	-91.2	0	0	0	112.9	I252 N254 A259 V273 L274	I252-F257 HydrophobicContact CG2-CE2 4.27Å; I252-F257 HydrophobicContact CG2-CZ 4.35Å; N254-F257 PolarHBondContact N-O 3.46Å; N254-F257 VanDerWaalsContact ND2-CD1 3.31Å; N254-F257 WeakPolarHBondContact ND2-CD1 3.32Å; N254-F257 WeakPolarHBondContact ND2-CE1 3.42Å; N254-F257 WeakPolarHBondContact OD1-CD1 3.49Å; N254-F257 PolarHBondContact OD1-N 2.96Å; N254-F257 PolarHBondContact OD1-O 2.95Å; F257-A259 HydrophobicContact CD2-CB 4.05Å; F257-A259 HydrophobicContact CE2-CB 3.82Å; F257-V273 HydrophobicContact CD2-CG1 4.41Å; F257-L274 CarbonylContact C-O 3.59Å; F257-L274 WeakPolarHBondContact CA-O 3.46Å; F257-L274 VanDerWaalsContact CB-O 3.29Å; F257-L274 WeakPolarHBondContact CB-O 3.38Å
258	A	92.9	Very high	92.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	134.8	164.4	0	0	0	0	0	109.7	I252 V253 F260 V273 L274 A280	I252-A258 CarbonylContact O-C 3.52Å; I252-A258 WeakPolarHBondContact O-CA 3.3Å; V253-A258 HydrophobicContact CG1-CB 4.48Å; V253-A258 HydrophobicContact CG2-CB 4.03Å; A258-F260 HydrophobicContact CB-CE2 3.8Å; A258-F260 HydrophobicContact CB-CZ 4.19Å; A258-V273 WeakPolarHBondContact O-CA 3.46Å; A258-L274 PolarHBondContact N-O 3.24Å; A258-L274 PolarHBondContact O-N 3.48Å; A258-A280 HydrophobicContact CB-CB 4.31Å
259	A	94.2	Very high	93	Very high	2 Å²	2	48 Å²	48	2%	0.017	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	130.5	175.2	0	0	0	0	0	111	E251 I252 F257 M271 V272 V273	E251-A259 WeakPolarHBondContact CA-O 3.43Å; I252-A259 HydrophobicContact CB-CB 4.46Å; I252-A259 PolarHBondContact N-O 2.77Å; I252-A259 PolarHBondContact O-N 2.62Å; F257-A259 HydrophobicContact CD2-CB 4.05Å; F257-A259 HydrophobicContact CE2-CB 3.82Å; A259-M271 HydrophobicContact CB-CE 4.07Å; A259-V272 CarbonylContact C-O 3.47Å; A259-V272 VanDerWaalsContact CA-O 3.28Å; A259-V272 WeakPolarHBondContact CA-O 3.5Å; A259-V273 HydrophobicContact CB-CG2 4.34Å
260	F	94.3	Very high	93.2	Very high	6 Å²	6	44.8 Å²	44.8	3%	0.026	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	125.6	-179.7	-61.1	-86.1	0	0	0	109.4	E251 A258 M271 V272 L274 A280 T283 R284 I287	E251-F260 HydrophobicContact CB-CD1 4.3Å; E251-F260 HydrophobicContact CB-CE1 4.31Å; E251-F260 HydrophobicContact CG-CD1 4.11Å; E251-F260 HydrophobicContact CG-CE1 3.66Å; E251-F260 HydrophobicContact CG-CZ 4.32Å; E251-F260 VanDerWaalsContact OE1-CE1 3.22Å; E251-F260 WeakPolarHBondContact OE1-CE1 3.47Å; A258-F260 HydrophobicContact CB-CE2 3.8Å; A258-F260 HydrophobicContact CB-CZ 4.19Å; F260-M271 CarbonylContact O-C 3.53Å; F260-M271 WeakPolarHBondContact O-CA 3.46Å; F260-V272 PolarHBondContact N-O 3.03Å; F260-V272 PolarHBondContact O-N 2.78Å; F260-L274 HydrophobicContact CD2-CD1 4.41Å; F260-L274 HydrophobicContact CE2-CD1 3.99Å; F260-A280 HydrophobicContact CE2-CB 3.97Å; F260-A280 HydrophobicContact CZ-CB 3.48Å; F260-A280 VanDerWaalsContact CZ-CB 3.48Å; F260-T283 HydrophobicContact CD2-CG2 4.26Å; F260-R284 HydrophobicContact CD1-CG 4.24Å; F260-R284 HydrophobicContact CE1-CG 4.3Å; F260-I287 HydrophobicContact CB-CD1 4.18Å
261	I	95.6	Very high	93.4	Very high	8 Å²	8	43.5 Å²	43.5	4%	0.041	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	122.6	169.8	-59.4	171.8	0	0	0	107.2	I233 F247 S249 M250 Y269 V270 M271	I233-I261 HydrophobicContact CD1-CD1 3.34Å; I233-I261 HydrophobicContact CG1-CD1 3.76Å; F247-I261 HydrophobicContact CE1-CG2 3.85Å; F247-I261 HydrophobicContact CZ-CB 4.4Å; F247-I261 HydrophobicContact CZ-CG2 3.93Å; S249-I261 CarbonylContact C-O 3.5Å; S249-I261 WeakPolarHBondContact CA-O 3.4Å; S249-I261 WeakPolarHBondContact CB-O 3.23Å; M250-I261 HydrophobicContact CB-CB 4.22Å; M250-I261 PolarHBondContact N-O 3.44Å; M250-I261 PolarHBondContact O-N 3.07Å; I261-Y269 HydrophobicContact CG2-CD1 3.85Å; I261-Y269 HydrophobicContact CG2-CE1 4.43Å; I261-V270 VanDerWaalsContact CA-O 3.31Å; I261-V270 WeakPolarHBondContact CA-O 3.35Å; I261-M271 HydrophobicContact CD1-CG 4.39Å; I261-M271 HydrophobicContact CD1-SD 4.03Å; I261-M271 HydrophobicContact CG1-CB 3.93Å; I261-M271 HydrophobicContact CG1-CG 3.74Å; I261-M271 HydrophobicContact CG1-SD 4.04Å
262	D	94.2	Very high	93.5	Very high	32 Å²	32	39.3 Å²	39.3	17%	0.171	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	155.9	179	-169.1	18.6	0	0	0	110.7	F264 Y269 V270 K291	D262-F264 PolarHBondContact O-N 3.37Å; D262-Y269 WeakPolarHBondContact O-CA 3.32Å; D262-Y269 VanDerWaalsContact O-CD1 3.26Å; D262-Y269 WeakPolarHBondContact O-CD1 3.38Å; D262-V270 PolarHBondContact N-O 3.48Å; D262-V270 PolarHBondContact O-N 3Å; D262-K291 IonicContact OD2-NZ 2.8Å; D262-K291 PolarHBondContact OD2-NZ 3.26Å
263	T	94	Very high	93.7	Very high	32 Å²	32	36.4 Å²	36.4	20%	0.196	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	124.5	169.2	-61.1	0	0	0	0	108.6	Q248 T265 Y269 K291	Q248-T263 PolarHBondContact O-N 2.86Å; Q248-T263 PolarHBondContact O-OG1 3.35Å; T263-T265 WeakPolarHBondContact CG2-O 3.28Å; T263-Y269 VanDerWaalsContact OG1-CZ 3.28Å; T263-Y269 PolarHBondContact OG1-OH 3.08Å; T263-K291 WeakPolarHBondContact O-CE 2.99Å; T263-K291 PolarHBondContact O-NZ 3.15Å
264	F	93.9	Very high	93.8	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.009	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-51.8	-172.6	-165.8	-137.6	0	0	0	112.9	F192 L203 D262 T268 V270 I287 A290 K291 F294	F192-F264 HydrophobicContact CE1-CZ 4.29Å; L203-F264 HydrophobicContact CD1-CD1 3.56Å; L203-F264 HydrophobicContact CD1-CE1 4.16Å; D262-F264 PolarHBondContact O-N 3.37Å; F264-T268 PolarHBondContact N-O 3.47Å; F264-V270 HydrophobicContact CB-CB 3.74Å; F264-V270 HydrophobicContact CB-CG1 3.74Å; F264-V270 HydrophobicContact CD1-CB 4.04Å; F264-V270 HydrophobicContact CD2-CB 4.1Å; F264-V270 HydrophobicContact CD2-CG1 3.67Å; F264-V270 HydrophobicContact CE2-CG1 4.36Å; F264-V270 HydrophobicContact CG-CB 3.72Å; F264-V270 HydrophobicContact CG-CG1 3.75Å; F264-I287 HydrophobicContact CD2-CG2 4.05Å; F264-I287 HydrophobicContact CE2-CG2 4.25Å; F264-A290 HydrophobicContact CE2-CB 3.92Å; F264-A290 HydrophobicContact CZ-CB 3.95Å; F264-K291 HydrophobicContact CD2-CG 3.91Å; F264-K291 HydrophobicContact CE2-CG 4.23Å; F264-K291 WeakPolarHBondContact O-CB 3.42Å; F264-K291 WeakPolarHBondContact O-CD 3.35Å; F264-K291 WeakPolarHBondContact O-CG 3.45Å; F264-F294 HydrophobicContact CD1-CB 4.15Å; F264-F294 HydrophobicContact CD1-CD1 4.49Å; F264-F294 HydrophobicContact CD1-CG 4.18Å; F264-F294 HydrophobicContact CE1-CB 3.64Å; F264-F294 AromaticContact CE1-CD1 3.62Å; F264-F294 HydrophobicContact CE1-CD1 3.62Å; F264-F294 AromaticContact CE1-CD2 3.38Å; F264-F294 HydrophobicContact CE1-CD2 3.38Å; F264-F294 HydrophobicContact CE1-CE1 4.05Å; F264-F294 AromaticContact CE1-CE2 3.83Å; F264-F294 HydrophobicContact CE1-CE2 3.83Å; F264-F294 AromaticContact CE1-CG 3.24Å; F264-F294 HydrophobicContact CE1-CG 3.24Å; F264-F294 HydrophobicContact CE1-CZ 4.14Å; F264-F294 HydrophobicContact CE2-CD2 4.38Å; F264-F294 HydrophobicContact CZ-CB 4.12Å; F264-F294 HydrophobicContact CZ-CD1 4.34Å; F264-F294 AromaticContact CZ-CD2 3.24Å; F264-F294 HydrophobicContact CZ-CD2 3.24Å; F264-F294 AromaticContact CZ-CE2 3.6Å; F264-F294 HydrophobicContact CZ-CE2 3.6Å; F264-F294 AromaticContact CZ-CG 3.65Å; F264-F294 HydrophobicContact CZ-CG 3.65Å; F264-F294 HydrophobicContact CZ-CZ 4.28Å
265	T	93.6	Very high	93.8	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	-178.3	169.3	74.9	0	0	0	0	109.9	T263 N267 T268 F294 E295 E298	T263-T265 WeakPolarHBondContact CG2-O 3.28Å; T265-N267 PolarHBondContact O-N 2.79Å; T265-N267 PolarHBondContact OG1-N 2.9Å; T265-T268 WeakPolarHBondContact CB-OG1 3.32Å; T265-T268 WeakPolarHBondContact CG2-OG1 3.4Å; T265-T268 PolarHBondContact N-O 3.29Å; T265-T268 PolarHBondContact N-OG1 3.25Å; T265-T268 PolarHBondContact O-N 2.8Å; T265-T268 PolarHBondContact OG1-N 2.97Å; T265-T268 VanDerWaalsContact OG1-N 3.17Å; T265-T268 PolarHBondContact OG1-OG1 2.9Å; T265-F294 HydrophobicContact CG2-CB 3.8Å; T265-E295 HydrophobicContact CG2-CG 4Å; T265-E298 WeakPolarHBondContact CB-OE2 3.46Å; T265-E298 PolarHBondContact OG1-OE2 3.25Å
266	T	92	Very high	93.5	Very high	93 Å²	93	27.2 Å²	27.2	57%	0.571	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-35.8	175.3	-57.9	0	0	0	0	112.6	K206	K206-T266 WeakPolarHBondContact CD-O 3.28Å; K206-T266 PolarHBondContact NZ-O 3.1Å; K206-T266 VanDerWaalsContact NZ-O 3.11Å
267	N	94	Very high	92.8	Very high	39 Å²	39	23.5 Å²	23.5	21%	0.209	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	12.8	-178.7	-35.7	-80.9	0	0	0	114.6	G52 K206 T265 E298	G52-N267 WeakPolarHBondContact CA-ND2 3.49Å; G52-N267 PolarHBondContact N-ND2 3.31Å; K206-N267 WeakPolarHBondContact CB-O 3.25Å; K206-N267 PolarHBondContact N-O 3.42Å; T265-N267 PolarHBondContact O-N 2.79Å; T265-N267 PolarHBondContact OG1-N 2.9Å; N267-E298 WeakPolarHBondContact CB-OE1 3.07Å; N267-E298 VanDerWaalsContact CG-OE1 3.31Å; N267-E298 VanDerWaalsContact ND2-CD 3.34Å; N267-E298 PolarHBondContact ND2-OE1 3.36Å
268	T	95.4	Very high	92.2	Very high	6 Å²	6	28 Å²	28	4%	0.037	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	152	177.4	65.1	0	0	0	0	114.5	L51 L203 F204 I212 F264 T265	L51-T268 HydrophobicContact CD2-CG2 3.62Å; L203-T268 HydrophobicContact CD1-CG2 4.39Å; L203-T268 HydrophobicContact CG-CG2 4.47Å; F204-T268 CarbonylContact O-C 3.57Å; F204-T268 WeakPolarHBondContact O-CA 3.48Å; F204-T268 VanDerWaalsContact O-CB 3.31Å; F204-T268 WeakPolarHBondContact O-CB 3.32Å; I212-T268 HydrophobicContact CD1-CG2 3.81Å; F264-T268 PolarHBondContact N-O 3.47Å; T265-T268 WeakPolarHBondContact CB-OG1 3.32Å; T265-T268 WeakPolarHBondContact CG2-OG1 3.4Å; T265-T268 PolarHBondContact N-O 3.29Å; T265-T268 PolarHBondContact N-OG1 3.25Å; T265-T268 PolarHBondContact O-N 2.8Å; T265-T268 PolarHBondContact OG1-N 2.97Å; T265-T268 VanDerWaalsContact OG1-N 3.17Å; T265-T268 PolarHBondContact OG1-OG1 2.9Å
269	Y	96.6	Very high	91.6	Very high	5 Å²	5	30 Å²	30	2%	0.02	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	147.4	163	-93.1	-94.9	0	0	0	109.1	F204 K206 F209 F247 Q248 I261 D262 T263	F204-Y269 PolarHBondContact N-O 3.41Å; F204-Y269 PolarHBondContact O-N 3.26Å; K206-Y269 HydrophobicContact CB-CD2 4.16Å; K206-Y269 HydrophobicContact CD-CE2 4.43Å; K206-Y269 HydrophobicContact CG-CD2 3.87Å; K206-Y269 HydrophobicContact CG-CE2 3.79Å; F209-Y269 HydrophobicContact CE1-CD2 4.4Å; F209-Y269 HydrophobicContact CE1-CG 4.11Å; F209-Y269 AromaticContact CE2-CD2 3.9Å; F209-Y269 HydrophobicContact CE2-CD2 3.9Å; F209-Y269 HydrophobicContact CE2-CE2 4.07Å; F209-Y269 HydrophobicContact CE2-CG 4.41Å; F209-Y269 HydrophobicContact CZ-CD1 4.01Å; F209-Y269 AromaticContact CZ-CD2 3.55Å; F209-Y269 HydrophobicContact CZ-CD2 3.55Å; F209-Y269 HydrophobicContact CZ-CE1 4.32Å; F209-Y269 AromaticContact CZ-CE2 3.88Å; F209-Y269 HydrophobicContact CZ-CE2 3.88Å; F209-Y269 AromaticContact CZ-CG 3.61Å; F209-Y269 HydrophobicContact CZ-CG 3.61Å; F247-Y269 AromaticContact CD1-CE1 3.78Å; F247-Y269 HydrophobicContact CD1-CE1 3.78Å; F247-Y269 AromaticContact CD1-CZ 3.83Å; F247-Y269 HydrophobicContact CE1-CD1 4.18Å; F247-Y269 AromaticContact CE1-CE1 3.6Å; F247-Y269 HydrophobicContact CE1-CE1 3.6Å; F247-Y269 PolarHBondContact O-OH 3.43Å; Q248-Y269 WeakPolarHBondContact O-CE1 3.34Å; Q248-Y269 PolarHBondContact O-OH 2.95Å; I261-Y269 HydrophobicContact CG2-CD1 3.85Å; I261-Y269 HydrophobicContact CG2-CE1 4.43Å; D262-Y269 WeakPolarHBondContact O-CA 3.32Å; D262-Y269 VanDerWaalsContact O-CD1 3.26Å; D262-Y269 WeakPolarHBondContact O-CD1 3.38Å; T263-Y269 VanDerWaalsContact OG1-CZ 3.28Å; T263-Y269 PolarHBondContact OG1-OH 3.08Å
270	V	96.8	Very high	90.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.8	170.9	68	0	0	0	0	109.4	I201 L202 L203 I261 D262 F264 V272 I287	I201-V270 HydrophobicContact CG2-CG2 3.55Å; L202-V270 CarbonylContact O-C 3.46Å; L202-V270 WeakPolarHBondContact O-CA 3.47Å; L203-V270 HydrophobicContact CD1-CB 4.43Å; I261-V270 VanDerWaalsContact CA-O 3.31Å; I261-V270 WeakPolarHBondContact CA-O 3.35Å; D262-V270 PolarHBondContact N-O 3.48Å; D262-V270 PolarHBondContact O-N 3Å; F264-V270 HydrophobicContact CB-CB 3.74Å; F264-V270 HydrophobicContact CB-CG1 3.74Å; F264-V270 HydrophobicContact CD1-CB 4.04Å; F264-V270 HydrophobicContact CD2-CB 4.1Å; F264-V270 HydrophobicContact CD2-CG1 3.67Å; F264-V270 HydrophobicContact CE2-CG1 4.36Å; F264-V270 HydrophobicContact CG-CB 3.72Å; F264-V270 HydrophobicContact CG-CG1 3.75Å; V270-V272 HydrophobicContact CG2-CG2 4.05Å; V270-I287 HydrophobicContact CG1-CG2 3.92Å
271	M	96.9	Very high	89.8	Confident	19 Å²	19	34.5 Å²	34.5	9%	0.094	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	130.8	163.1	-179	171.5	169.9	0	0	109.2	I201 L202 F204 I229 A259 F260 I261 V273	I201-M271 CarbonylContact C-O 3.56Å; I201-M271 VanDerWaalsContact CA-O 3.24Å; I201-M271 WeakPolarHBondContact CA-O 3.31Å; L202-M271 HydrophobicContact CB-CB 4.19Å; L202-M271 HydrophobicContact CD1-SD 4.24Å; L202-M271 PolarHBondContact N-O 3.14Å; L202-M271 PolarHBondContact O-N 2.89Å; F204-M271 HydrophobicContact CE2-CB 3.66Å; F204-M271 HydrophobicContact CZ-CB 4.33Å; I229-M271 HydrophobicContact CD1-CE 3.88Å; I229-M271 HydrophobicContact CD1-SD 3.94Å; I229-M271 HydrophobicContact CG1-SD 4.44Å; I229-M271 HydrophobicContact CG2-SD 3.63Å; A259-M271 HydrophobicContact CB-CE 4.07Å; F260-M271 CarbonylContact O-C 3.53Å; F260-M271 WeakPolarHBondContact O-CA 3.46Å; I261-M271 HydrophobicContact CD1-CG 4.39Å; I261-M271 HydrophobicContact CD1-SD 4.03Å; I261-M271 HydrophobicContact CG1-CB 3.93Å; I261-M271 HydrophobicContact CG1-CG 3.74Å; I261-M271 HydrophobicContact CG1-SD 4.04Å; M271-V273 HydrophobicContact CE-CG2 3.7Å; M271-V273 HydrophobicContact CG-CG2 4.38Å
272	V	95.8	Very high	89.4	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128	175.5	178.3	0	0	0	0	108.6	I196 A198 I201 A259 F260 V270 L274 T283 I287	I196-V272 HydrophobicContact CD1-CG1 3.62Å; I196-V272 HydrophobicContact CD1-CG2 4.1Å; A198-V272 HydrophobicContact CB-CG1 3.84Å; I201-V272 HydrophobicContact CD1-CG2 4.32Å; I201-V272 HydrophobicContact CG1-CG1 4.49Å; I201-V272 HydrophobicContact CG1-CG2 4.25Å; I201-V272 HydrophobicContact CG2-CG2 4.37Å; A259-V272 CarbonylContact C-O 3.47Å; A259-V272 VanDerWaalsContact CA-O 3.28Å; A259-V272 WeakPolarHBondContact CA-O 3.5Å; F260-V272 PolarHBondContact N-O 3.03Å; F260-V272 PolarHBondContact O-N 2.78Å; V270-V272 HydrophobicContact CG2-CG2 4.05Å; V272-L274 HydrophobicContact CG1-CG 4.36Å; V272-T283 HydrophobicContact CB-CG2 4.44Å; V272-T283 HydrophobicContact CG1-CG2 3.83Å; V272-I287 HydrophobicContact CB-CD1 4.27Å; V272-I287 HydrophobicContact CG2-CD1 3.78Å; V272-I287 HydrophobicContact CG2-CG1 4.02Å
273	V	94.8	Very high	89	Confident	16 Å²	16	36.1 Å²	36.1	10%	0.097	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.3	177	-174.7	0	0	0	0	109.7	D199 E200 F257 A258 A259 M271	D199-V273 PolarHBondContact N-O 2.89Å; E200-V273 HydrophobicContact CB-CB 4.18Å; E200-V273 HydrophobicContact CB-CG2 4.41Å; E200-V273 PolarHBondContact N-O 3.39Å; E200-V273 PolarHBondContact O-N 3.02Å; F257-V273 HydrophobicContact CD2-CG1 4.41Å; A258-V273 WeakPolarHBondContact O-CA 3.46Å; A259-V273 HydrophobicContact CB-CG2 4.34Å; M271-V273 HydrophobicContact CE-CG2 3.7Å; M271-V273 HydrophobicContact CG-CG2 4.38Å
274	L	93.1	Very high	88.6	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	138	178.2	-59.5	158.5	0	0	0	108.5	A198 F257 A258 F260 V272 T283	A198-L274 HydrophobicContact CB-CD2 4.36Å; F257-L274 CarbonylContact C-O 3.59Å; F257-L274 WeakPolarHBondContact CA-O 3.46Å; F257-L274 VanDerWaalsContact CB-O 3.29Å; F257-L274 WeakPolarHBondContact CB-O 3.38Å; A258-L274 PolarHBondContact N-O 3.24Å; A258-L274 PolarHBondContact O-N 3.48Å; F260-L274 HydrophobicContact CD2-CD1 4.41Å; F260-L274 HydrophobicContact CE2-CD1 3.99Å; V272-L274 HydrophobicContact CG1-CG 4.36Å; L274-T283 HydrophobicContact CD1-CG2 3.87Å; L274-T283 WeakPolarHBondContact CD1-OG1 3.48Å
275	S	89.9	Confident	88.3	Confident	35 Å²	35	44.8 Å²	44.8	25%	0.245	24%	0.243	C	C	.	.	S	Bend	trans	-82.6	-20.6	169.2	41.7	0	0	0	0	113.1	D199 R218 P277	D199-S275 WeakPolarHBondContact OD2-CA 3.44Å; D199-S275 WeakPolarHBondContact OD2-CB 3.39Å; D199-S275 PolarHBondContact OD2-N 3.15Å; D199-S275 PolarHBondContact OD2-OG 3.5Å; R218-S275 PolarHBondContact NH1-OG 3.39Å; R218-S275 PolarHBondContact NH2-OG 2.84Å; S275-P277 VanDerWaalsContact O-CD 3.28Å; S275-P277 WeakPolarHBondContact O-CD 3.43Å
276	D	84.7	Confident	88.2	Confident	67 Å²	67	46.9 Å²	46.9	36%	0.358	25%	0.253	S	S	.	.			trans	-98.3	105	176.3	-170.9	-11.4	0	0	0	110.6	E278 I279	D276-E278 PolarHBondContact O-N 2.89Å; D276-E278 WeakPolarHBondContact OD1-CB 3.29Å; D276-E278 PolarHBondContact OD1-N 3.38Å; D276-I279 HydrophobicContact CB-CD1 3.83Å; D276-I279 HydrophobicContact CB-CG1 4.07Å; D276-I279 PolarHBondContact O-N 2.91Å
277	P	74.5	Confident	88.2	Confident	48 Å²	48	42.6 Å²	42.6	31%	0.312	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-13.4	178.6	29.7	-33.8	0	0	0	113.3	V253 S275 I279 A280	V253-P277 HydrophobicContact CG1-CB 4.15Å; S275-P277 VanDerWaalsContact O-CD 3.28Å; S275-P277 WeakPolarHBondContact O-CD 3.43Å; P277-I279 VanDerWaalsContact C-N 3.26Å; P277-I279 PolarHBondContact O-N 3.19Å; P277-A280 VanDerWaalsContact O-CB 3.23Å; P277-A280 WeakPolarHBondContact O-CB 3.4Å; P277-A280 PolarHBondContact O-N 2.66Å
278	E	79.7	Confident	88.1	Confident	170 Å²	170	46.2 Å²	46.2	79%	0.794	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-25.8	177.3	-62.2	-165.7	162.8	0	0	112	D276 A280 P281	D276-E278 PolarHBondContact O-N 2.89Å; D276-E278 WeakPolarHBondContact OD1-CB 3.29Å; D276-E278 PolarHBondContact OD1-N 3.38Å; E278-A280 VanDerWaalsContact C-N 3.33Å; E278-P281 WeakPolarHBondContact O-CD 3.25Å
279	I	79.3	Confident	87.9	Confident	42 Å²	42	51 Å²	51	22%	0.215	27%	0.268	C	S	.	.	S	Bend	trans	-79.3	-19.6	-179.2	-52	177.3	0	0	0	111.6	D276 P277 P281 T282 T283	D276-I279 HydrophobicContact CB-CD1 3.83Å; D276-I279 HydrophobicContact CB-CG1 4.07Å; D276-I279 PolarHBondContact O-N 2.91Å; P277-I279 VanDerWaalsContact C-N 3.26Å; P277-I279 PolarHBondContact O-N 3.19Å; I279-P281 VanDerWaalsContact C-CD 3.43Å; I279-P281 VanDerWaalsContact O-N 3.11Å; I279-T282 WeakPolarHBondContact CG2-OG1 3.44Å; I279-T282 PolarHBondContact O-N 3.15Å; I279-T282 PolarHBondContact O-OG1 3Å; I279-T283 PolarHBondContact O-N 3.41Å; I279-T283 PolarHBondContact O-OG1 3.14Å
280	A	73.5	Confident	87.8	Confident	8 Å²	8	51.4 Å²	51.4	7%	0.066	27%	0.272	C	S	.	.	H	α-helix	trans	-42.7	-46.8	-173.9	0	0	0	0	0	116.1	A258 F260 P277 E278 T282 T283	A258-A280 HydrophobicContact CB-CB 4.31Å; F260-A280 HydrophobicContact CE2-CB 3.97Å; F260-A280 HydrophobicContact CZ-CB 3.48Å; F260-A280 VanDerWaalsContact CZ-CB 3.48Å; P277-A280 VanDerWaalsContact O-CB 3.23Å; P277-A280 WeakPolarHBondContact O-CB 3.4Å; P277-A280 PolarHBondContact O-N 2.66Å; E278-A280 VanDerWaalsContact C-N 3.33Å; A280-T282 VanDerWaalsContact C-N 3.32Å; A280-T282 PolarHBondContact O-N 2.95Å; A280-T283 WeakPolarHBondContact O-CB 3.29Å; A280-T283 PolarHBondContact O-N 2.69Å
281	P	77.4	Confident	87.6	Confident	96 Å²	96	53.4 Å²	53.4	62%	0.623	28%	0.281	S	S	*	.	H	α-helix	trans	-63.7	-36.8	-178.7	-22.7	34.9	0	0	0	113	E278 I279 T283	E278-P281 WeakPolarHBondContact O-CD 3.25Å; I279-P281 VanDerWaalsContact C-CD 3.43Å; I279-P281 VanDerWaalsContact O-N 3.11Å; P281-T283 VanDerWaalsContact C-N 3.34Å
282	T	86.7	Confident	87.4	Confident	74 Å²	74	60 Å²	60	45%	0.454	31%	0.309	S	S	.	.	H	α-helix	trans	-73.6	-29.8	-179.8	68.3	0	0	0	0	111.7	I279 A280 R284 L285 N286	I279-T282 WeakPolarHBondContact CG2-OG1 3.44Å; I279-T282 PolarHBondContact O-N 3.15Å; I279-T282 PolarHBondContact O-OG1 3Å; A280-T282 VanDerWaalsContact C-N 3.32Å; A280-T282 PolarHBondContact O-N 2.95Å; T282-R284 VanDerWaalsContact C-N 3.32Å; T282-R284 PolarHBondContact O-N 2.91Å; T282-L285 WeakPolarHBondContact O-CB 2.9Å; T282-L285 PolarHBondContact O-N 2.9Å; T282-L285 VanDerWaalsContact O-N 3.16Å; T282-N286 PolarHBondContact O-N 3.47Å; T282-N286 PolarHBondContact O-ND2 2.96Å
283	T	86.3	Confident	87.2	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-59.6	-39.5	178.7	-50.6	0	0	0	0	112.5	I196 F260 V272 L274 I279 A280 P281 L285 N286 I287	I196-T283 HydrophobicContact CD1-CG2 4.35Å; F260-T283 HydrophobicContact CD2-CG2 4.26Å; V272-T283 HydrophobicContact CB-CG2 4.44Å; V272-T283 HydrophobicContact CG1-CG2 3.83Å; L274-T283 HydrophobicContact CD1-CG2 3.87Å; L274-T283 WeakPolarHBondContact CD1-OG1 3.48Å; I279-T283 PolarHBondContact O-N 3.41Å; I279-T283 PolarHBondContact O-OG1 3.14Å; A280-T283 WeakPolarHBondContact O-CB 3.29Å; A280-T283 PolarHBondContact O-N 2.69Å; P281-T283 VanDerWaalsContact C-N 3.34Å; T283-L285 VanDerWaalsContact C-N 3.34Å; T283-L285 PolarHBondContact O-N 3.3Å; T283-N286 PolarHBondContact O-N 3.14Å; T283-I287 HydrophobicContact CG2-CD1 4.03Å; T283-I287 HydrophobicContact CG2-CG1 4.38Å; T283-I287 VanDerWaalsContact O-CG1 3.32Å; T283-I287 WeakPolarHBondContact O-CG1 3.38Å; T283-I287 PolarHBondContact O-N 2.92Å
284	R	85	Confident	87.1	Confident	118 Å²	118	64.3 Å²	64.3	45%	0.445	33%	0.328	S	S	.	.	H	α-helix	trans	-59.9	-44.7	176.4	-76.2	-177.6	167.9	162.2	-3.5	112.4	E251 F260 T282 N286 I287 Q288	E251-R284 IonicContact OE1-NH2 3.99Å; E251-R284 IonicContact OE2-CZ 3.3Å; E251-R284 IonicContact OE2-NH1 3.15Å; E251-R284 IonicContact OE2-NH2 2.67Å; E251-R284 PolarHBondContact OE2-NH2 2.74Å; F260-R284 HydrophobicContact CD1-CG 4.24Å; F260-R284 HydrophobicContact CE1-CG 4.3Å; T282-R284 VanDerWaalsContact C-N 3.32Å; T282-R284 PolarHBondContact O-N 2.91Å; R284-N286 VanDerWaalsContact C-N 3.31Å; R284-N286 PolarHBondContact O-N 3.46Å; R284-I287 PolarHBondContact O-N 3.4Å; R284-Q288 WeakPolarHBondContact O-CG 3.39Å; R284-Q288 PolarHBondContact O-N 3.1Å
285	L	88.9	Confident	87	Confident	98 Å²	98	67.4 Å²	67.4	51%	0.513	34%	0.342	S	S	.	.	H	α-helix	trans	-63.7	-40.6	177.1	-178.2	61.5	0	0	0	110.7	T282 T283 Q288 N289	T282-L285 WeakPolarHBondContact O-CB 2.9Å; T282-L285 PolarHBondContact O-N 2.9Å; T282-L285 VanDerWaalsContact O-N 3.16Å; T283-L285 VanDerWaalsContact C-N 3.34Å; T283-L285 PolarHBondContact O-N 3.3Å; L285-Q288 PolarHBondContact O-N 3.36Å; L285-N289 WeakPolarHBondContact O-CB 3.14Å; L285-N289 VanDerWaalsContact O-CG 3.29Å; L285-N289 PolarHBondContact O-N 3.19Å; L285-N289 PolarHBondContact O-ND2 2.95Å
286	N	92	Very high	87	Confident	48 Å²	48	72.5 Å²	72.5	26%	0.257	36%	0.36	S	S	.	.	H	α-helix	trans	-64.9	-42.7	177.2	-66.5	-23.6	0	0	0	112.5	I196 T282 T283 R284 Q288 N289 A290	I196-N286 HydrophobicContact CB-CB 4.49Å; I196-N286 HydrophobicContact CG2-CB 3.49Å; I196-N286 VanDerWaalsContact CG2-CB 3.49Å; T282-N286 PolarHBondContact O-N 3.47Å; T282-N286 PolarHBondContact O-ND2 2.96Å; T283-N286 PolarHBondContact O-N 3.14Å; R284-N286 VanDerWaalsContact C-N 3.31Å; R284-N286 PolarHBondContact O-N 3.46Å; N286-Q288 VanDerWaalsContact C-N 3.35Å; N286-Q288 PolarHBondContact O-N 3.35Å; N286-N289 PolarHBondContact O-N 2.88Å; N286-A290 WeakPolarHBondContact O-CB 3.43Å; N286-A290 PolarHBondContact O-N 3.45Å
287	I	91.6	Very high	87.1	Confident	3 Å²	3	69.8 Å²	69.8	2%	0.015	35%	0.345	C	S	.	.	H	α-helix	trans	-58	-48.4	173.4	-68.9	166	0	0	0	110	F192 F260 F264 V270 V272 T283 R284 N289 A290 K291	F192-I287 HydrophobicContact CZ-CG1 4.09Å; F260-I287 HydrophobicContact CB-CD1 4.18Å; F264-I287 HydrophobicContact CD2-CG2 4.05Å; F264-I287 HydrophobicContact CE2-CG2 4.25Å; V270-I287 HydrophobicContact CG1-CG2 3.92Å; V272-I287 HydrophobicContact CB-CD1 4.27Å; V272-I287 HydrophobicContact CG2-CD1 3.78Å; V272-I287 HydrophobicContact CG2-CG1 4.02Å; T283-I287 HydrophobicContact CG2-CD1 4.03Å; T283-I287 HydrophobicContact CG2-CG1 4.38Å; T283-I287 VanDerWaalsContact O-CG1 3.32Å; T283-I287 WeakPolarHBondContact O-CG1 3.38Å; T283-I287 PolarHBondContact O-N 2.92Å; R284-I287 PolarHBondContact O-N 3.4Å; I287-N289 PolarHBondContact O-N 3.07Å; I287-A290 PolarHBondContact O-N 2.84Å; I287-K291 VanDerWaalsContact O-CG 3.26Å; I287-K291 WeakPolarHBondContact O-CG 3.41Å; I287-K291 PolarHBondContact O-N 2.8Å
288	Q	90.6	Very high	87.4	Confident	115 Å²	115	68.7 Å²	68.7	54%	0.537	34%	0.336	S	S	.	.	H	α-helix	trans	-59.6	-43.3	178.3	-72.9	179	4.5	0	0	112.8	R284 L285 N286 A290 K291	R284-Q288 WeakPolarHBondContact O-CG 3.39Å; R284-Q288 PolarHBondContact O-N 3.1Å; L285-Q288 PolarHBondContact O-N 3.36Å; N286-Q288 VanDerWaalsContact C-N 3.35Å; N286-Q288 PolarHBondContact O-N 3.35Å; Q288-A290 VanDerWaalsContact C-N 3.33Å; Q288-A290 PolarHBondContact O-N 3.19Å; Q288-K291 WeakPolarHBondContact O-CB 3.43Å; Q288-K291 PolarHBondContact O-N 3.43Å
289	N	92.6	Very high	87.4	Confident	107 Å²	107	66.9 Å²	66.9	57%	0.572	33%	0.33	S	S	*	.	H	α-helix	trans	-66.5	-35.4	178.7	-72.8	-25.8	0	0	0	112.3	L285 N286 I287	L285-N289 WeakPolarHBondContact O-CB 3.14Å; L285-N289 VanDerWaalsContact O-CG 3.29Å; L285-N289 PolarHBondContact O-N 3.19Å; L285-N289 PolarHBondContact O-ND2 2.95Å; N286-N289 PolarHBondContact O-N 2.88Å; I287-N289 PolarHBondContact O-N 3.07Å
290	A	94.1	Very high	87.2	Confident	13 Å²	13	72.7 Å²	72.7	11%	0.107	35%	0.349	C	S	.	.	H	α-helix	trans	-71.5	-25.8	178.5	0	0	0	0	0	113.4	F192 F264 N286 I287 Q288 K292 H293 F294	F192-A290 HydrophobicContact CD2-CB 3.71Å; F192-A290 HydrophobicContact CE1-CB 4.46Å; F192-A290 HydrophobicContact CE2-CB 3.38Å; F192-A290 HydrophobicContact CG-CB 4.39Å; F192-A290 HydrophobicContact CZ-CB 3.81Å; F264-A290 HydrophobicContact CE2-CB 3.92Å; F264-A290 HydrophobicContact CZ-CB 3.95Å; N286-A290 WeakPolarHBondContact O-CB 3.43Å; N286-A290 PolarHBondContact O-N 3.45Å; I287-A290 PolarHBondContact O-N 2.84Å; Q288-A290 VanDerWaalsContact C-N 3.33Å; Q288-A290 PolarHBondContact O-N 3.19Å; A290-K292 VanDerWaalsContact C-N 3.31Å; A290-K292 PolarHBondContact O-N 3.19Å; A290-H293 WeakPolarHBondContact O-CB 3.46Å; A290-H293 PolarHBondContact O-N 3.09Å; A290-F294 HydrophobicContact CB-CD2 4.32Å; A290-F294 HydrophobicContact CB-CE2 4.35Å; A290-F294 WeakPolarHBondContact O-CD2 3.41Å; A290-F294 PolarHBondContact O-N 3.17Å
291	K	93.3	Very high	86.8	Confident	43 Å²	43	72.7 Å²	72.7	19%	0.187	35%	0.347	C	S	.	.	H	α-helix	trans	-48.9	-49.3	-177.1	-60.3	-166.9	-176.2	-171	0	112.7	D262 T263 F264 I287 Q288 H293 F294 E295	D262-K291 IonicContact OD2-NZ 2.8Å; D262-K291 PolarHBondContact OD2-NZ 3.26Å; T263-K291 WeakPolarHBondContact O-CE 2.99Å; T263-K291 PolarHBondContact O-NZ 3.15Å; F264-K291 HydrophobicContact CD2-CG 3.91Å; F264-K291 HydrophobicContact CE2-CG 4.23Å; F264-K291 WeakPolarHBondContact O-CB 3.42Å; F264-K291 WeakPolarHBondContact O-CD 3.35Å; F264-K291 WeakPolarHBondContact O-CG 3.45Å; I287-K291 VanDerWaalsContact O-CG 3.26Å; I287-K291 WeakPolarHBondContact O-CG 3.41Å; I287-K291 PolarHBondContact O-N 2.8Å; Q288-K291 WeakPolarHBondContact O-CB 3.43Å; Q288-K291 PolarHBondContact O-N 3.43Å; K291-H293 PolarHBondContact O-N 3.47Å; K291-F294 PolarHBondContact O-N 2.74Å; K291-F294 VanDerWaalsContact O-N 3.16Å; K291-E295 WeakPolarHBondContact O-CG 3.41Å; K291-E295 PolarHBondContact O-N 3.17Å
292	K	91.1	Very high	87.2	Confident	158 Å²	158	71.5 Å²	71.5	69%	0.687	33%	0.333	S	S	*	.	H	α-helix	trans	-59.8	-31	-179.5	-68.7	-178.4	-178.9	174.9	0	113.7	A290 K296	A290-K292 VanDerWaalsContact C-N 3.31Å; A290-K292 PolarHBondContact O-N 3.19Å; K292-K296 WeakPolarHBondContact O-CG 3.31Å
293	H	92.9	Very high	87.3	Confident	98 Å²	98	71.4 Å²	71.4	45%	0.454	33%	0.327	S	S	.	.	H	α-helix	trans	-73.2	-47.6	177.6	179	73.1	0	0	0	110.6	A290 K291 K296 L297	A290-H293 WeakPolarHBondContact O-CB 3.46Å; A290-H293 PolarHBondContact O-N 3.09Å; K291-H293 PolarHBondContact O-N 3.47Å; H293-K296 PolarHBondContact O-N 3.25Å; H293-L297 PolarHBondContact O-N 3.42Å; H293-L297 VanDerWaalsContact O-N 3.17Å
294	F	92.6	Very high	87.3	Confident	7 Å²	7	75.3 Å²	75.3	3%	0.031	35%	0.345	C	S	.	.	H	α-helix	trans	-71.1	-31.5	-178.9	-77.4	-94.6	0	0	0	113.3	L185 L189 F192 F264 T265 A290 K291 K296 L297 E298	L185-F294 HydrophobicContact CD1-CD1 3.84Å; L185-F294 HydrophobicContact CD1-CE1 3.98Å; L189-F294 HydrophobicContact CD1-CE1 4.08Å; L189-F294 HydrophobicContact CD1-CZ 4.05Å; F192-F294 HydrophobicContact CB-CE2 4.16Å; F192-F294 HydrophobicContact CB-CZ 4.16Å; F192-F294 HydrophobicContact CD1-CE2 4.5Å; F192-F294 HydrophobicContact CG-CE2 4.29Å; F264-F294 HydrophobicContact CD1-CB 4.15Å; F264-F294 HydrophobicContact CD1-CD1 4.49Å; F264-F294 HydrophobicContact CD1-CG 4.18Å; F264-F294 HydrophobicContact CE1-CB 3.64Å; F264-F294 AromaticContact CE1-CD1 3.62Å; F264-F294 HydrophobicContact CE1-CD1 3.62Å; F264-F294 AromaticContact CE1-CD2 3.38Å; F264-F294 HydrophobicContact CE1-CD2 3.38Å; F264-F294 HydrophobicContact CE1-CE1 4.05Å; F264-F294 AromaticContact CE1-CE2 3.83Å; F264-F294 HydrophobicContact CE1-CE2 3.83Å; F264-F294 AromaticContact CE1-CG 3.24Å; F264-F294 HydrophobicContact CE1-CG 3.24Å; F264-F294 HydrophobicContact CE1-CZ 4.14Å; F264-F294 HydrophobicContact CE2-CD2 4.38Å; F264-F294 HydrophobicContact CZ-CB 4.12Å; F264-F294 HydrophobicContact CZ-CD1 4.34Å; F264-F294 AromaticContact CZ-CD2 3.24Å; F264-F294 HydrophobicContact CZ-CD2 3.24Å; F264-F294 AromaticContact CZ-CE2 3.6Å; F264-F294 HydrophobicContact CZ-CE2 3.6Å; F264-F294 AromaticContact CZ-CG 3.65Å; F264-F294 HydrophobicContact CZ-CG 3.65Å; F264-F294 HydrophobicContact CZ-CZ 4.28Å; T265-F294 HydrophobicContact CG2-CB 3.8Å; A290-F294 HydrophobicContact CB-CD2 4.32Å; A290-F294 HydrophobicContact CB-CE2 4.35Å; A290-F294 WeakPolarHBondContact O-CD2 3.41Å; A290-F294 PolarHBondContact O-N 3.17Å; K291-F294 PolarHBondContact O-N 2.74Å; K291-F294 VanDerWaalsContact O-N 3.16Å; F294-K296 VanDerWaalsContact C-N 3.29Å; F294-K296 PolarHBondContact O-N 3.23Å; F294-L297 HydrophobicContact CD1-CD1 4.1Å; F294-L297 HydrophobicContact CE1-CD1 4.37Å; F294-L297 HydrophobicContact CG-CD1 4.46Å; F294-L297 PolarHBondContact O-N 3.19Å; F294-E298 WeakPolarHBondContact O-CB 3.5Å; F294-E298 PolarHBondContact O-N 2.72Å
295	E	91	Very high	87.4	Confident	68 Å²	68	72.8 Å²	72.8	32%	0.318	34%	0.339	S	S	.	.	H	α-helix	trans	-59	-40.4	170.2	-75.6	175.4	166.6	0	0	112	T265 K291 E298 M299	T265-E295 HydrophobicContact CG2-CG 4Å; K291-E295 WeakPolarHBondContact O-CG 3.41Å; K291-E295 PolarHBondContact O-N 3.17Å; E295-E298 PolarHBondContact O-N 3.24Å; E295-M299 HydrophobicContact CB-CE 4.49Å; E295-M299 WeakPolarHBondContact O-CG 3.39Å; E295-M299 PolarHBondContact O-N 2.88Å; E295-M299 VanDerWaalsContact O-N 3.14Å
296	K	89	Confident	87.4	Confident	141 Å²	141	71.3 Å²	71.3	61%	0.613	33%	0.328	S	S	*	.	H	α-helix	trans	-69.4	-35.2	176.5	-70.1	177.7	-176.8	-177.9	0	112.4	K292 H293 F294 R300	K292-K296 WeakPolarHBondContact O-CG 3.31Å; H293-K296 PolarHBondContact O-N 3.25Å; F294-K296 VanDerWaalsContact C-N 3.29Å; F294-K296 PolarHBondContact O-N 3.23Å; K296-R300 WeakPolarHBondContact O-CG 3.47Å
297	L	86.2	Confident	87	Confident	10 Å²	10	72.8 Å²	72.8	5%	0.052	33%	0.333	C	S	.	.	H	α-helix	trans	-66.2	-42.9	175.2	-71	173.6	0	0	0	111	L184 S188 H293 F294 M299 R300 Q301	L184-L297 HydrophobicContact CD2-CD2 3.67Å; L184-L297 HydrophobicContact CG-CD2 3.88Å; S188-L297 VanDerWaalsContact CB-CD1 3.46Å; S188-L297 WeakPolarHBondContact OG-CD1 3.42Å; H293-L297 PolarHBondContact O-N 3.42Å; H293-L297 VanDerWaalsContact O-N 3.17Å; F294-L297 HydrophobicContact CD1-CD1 4.1Å; F294-L297 HydrophobicContact CE1-CD1 4.37Å; F294-L297 HydrophobicContact CG-CD1 4.46Å; F294-L297 PolarHBondContact O-N 3.19Å; L297-M299 VanDerWaalsContact C-N 3.3Å; L297-M299 PolarHBondContact O-N 3.24Å; L297-R300 WeakPolarHBondContact O-CA 2.96Å; L297-R300 WeakPolarHBondContact O-CB 3.43Å; L297-R300 PolarHBondContact O-N 2.92Å; L297-Q301 PolarHBondContact O-N 3.31Å; L297-Q301 VanDerWaalsContact O-N 3.15Å
298	E	82.1	Confident	86.7	Confident	25 Å²	25	77.8 Å²	77.8	12%	0.117	36%	0.356	C	S	.	.	H	α-helix	trans	-62	-37.1	177	-174.4	172.4	-160.5	0	0	112.3	L51 T265 N267 F294 E295 R300 Q301	L51-E298 WeakPolarHBondContact CA-OE1 3.49Å; T265-E298 WeakPolarHBondContact CB-OE2 3.46Å; T265-E298 PolarHBondContact OG1-OE2 3.25Å; N267-E298 WeakPolarHBondContact CB-OE1 3.07Å; N267-E298 VanDerWaalsContact CG-OE1 3.31Å; N267-E298 VanDerWaalsContact ND2-CD 3.34Å; N267-E298 PolarHBondContact ND2-OE1 3.36Å; F294-E298 WeakPolarHBondContact O-CB 3.5Å; F294-E298 PolarHBondContact O-N 2.72Å; E295-E298 PolarHBondContact O-N 3.24Å; E298-R300 PolarHBondContact O-N 3.11Å; E298-Q301 WeakPolarHBondContact O-CB 3.45Å; E298-Q301 PolarHBondContact O-N 3.36Å; E298-Q301 VanDerWaalsContact O-N 3.17Å
299	M	79.5	Confident	86.4	Confident	133 Å²	133	74.9 Å²	74.9	66%	0.655	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-16.2	173.1	-67.9	179.9	-144.7	0	0	114.1	E295 L297	E295-M299 HydrophobicContact CB-CE 4.49Å; E295-M299 WeakPolarHBondContact O-CG 3.39Å; E295-M299 PolarHBondContact O-N 2.88Å; E295-M299 VanDerWaalsContact O-N 3.14Å; L297-M299 VanDerWaalsContact C-N 3.3Å; L297-M299 PolarHBondContact O-N 3.24Å
300	R	74.1	Confident	85.9	Confident	164 Å²	164	72.3 Å²	72.3	62%	0.619	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-15.5	175.7	-66.4	176.6	177.6	-167.7	-2	112.9	N181 K296 L297 E298	N181-R300 PolarHBondContact ND2-O 3.05Å; K296-R300 WeakPolarHBondContact O-CG 3.47Å; L297-R300 WeakPolarHBondContact O-CA 2.96Å; L297-R300 WeakPolarHBondContact O-CB 3.43Å; L297-R300 PolarHBondContact O-N 2.92Å; E298-R300 PolarHBondContact O-N 3.11Å
301	Q	64.9	Low	85.2	Confident	7 Å²	7	77.6 Å²	77.6	3%	0.033	34%	0.342	C	S	.	.			trans	-64.8	0	161.7	-53.9	-53.9	7.1	0	0	109.1	M4 N53 P180 N181 L297 E298	M4-Q301 WeakPolarHBondContact CE-O 3.14Å; N53-Q301 PolarHBondContact ND2-O 3.04Å; N53-Q301 PolarHBondContact ND2-OXT 3.09Å; N53-Q301 VanDerWaalsContact OD1-C 3.26Å; N53-Q301 PolarHBondContact OD1-O 3.24Å; N53-Q301 PolarHBondContact OD1-OXT 3.37Å; P180-Q301 HydrophobicContact CG-CB 4.05Å; P180-Q301 WeakPolarHBondContact CG-O 3.32Å; P180-Q301 PolarHBondContact O-NE2 3.29Å; P180-Q301 PolarHBondContact O-OE1 3.04Å; N181-Q301 VanDerWaalsContact CB-OE1 3.25Å; N181-Q301 PolarHBondContact ND2-OE1 2.79Å; N181-Q301 VanDerWaalsContact ND2-OE1 3.14Å; N181-Q301 PolarHBondContact O-NE2 3.47Å; L297-Q301 PolarHBondContact O-N 3.31Å; L297-Q301 VanDerWaalsContact O-N 3.15Å; E298-Q301 WeakPolarHBondContact O-CB 3.45Å; E298-Q301 PolarHBondContact O-N 3.36Å; E298-Q301 VanDerWaalsContact O-N 3.17Å

Retrieved 301 of 301 residues in 634.1 ms (Link to these results)

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