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Ribitol-5-phosphate cytidylyltransferase 1

Catalyzes the transfer of the cytidylyl group of CTP to D-ribitol 5-phosphate.

AlphaFold DB , UniProt , Accession Q2G1C0, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene tarI, Length 238 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	95.7	Very high	92.4	Very high	97 Å²	97	31.8 Å²	31.8	48%	0.478	19%	0.188	S	C	.	.				0	157.6	0	-67.7	-179.2	179.7	0	0	109.3	Y3 E47 D105 V106	M1-Y3 HydrophobicContact CB-CE2 3.68Å; M1-Y3 PolarHBondContact SD-OH 2.75Å; M1-E47 HydrophobicContact SD-CG 4.37Å; M1-D105 WeakPolarHBondContact CA-OD1 3.34Å; M1-D105 WeakPolarHBondContact CB-OD1 3.43Å; M1-D105 PolarHBondContact N-OD1 3.13Å; M1-D105 WeakPolarHBondContact O-CA 3.38Å; M1-V106 PolarHBondContact O-N 3.48Å
2	K	97.9	Very high	90.6	Very high	46 Å²	46	30 Å²	30	20%	0.2	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	129.3	-175.4	-59	163	-178	172.5	0	108.8	D45 F46 E47 V106 I126	K2-D45 HydrophobicContact CD-CB 3.82Å; K2-D45 IonicContact NZ-OD2 2.69Å; K2-D45 PolarHBondContact NZ-OD2 3.22Å; K2-F46 HydrophobicContact CB-CD1 4.17Å; K2-F46 CarbonylContact O-C 3.56Å; K2-F46 WeakPolarHBondContact O-CA 3.37Å; K2-E47 PolarHBondContact O-N 2.92Å; K2-V106 CarbonylContact C-O 3.54Å; K2-V106 WeakPolarHBondContact CA-O 3.24Å; K2-I126 HydrophobicContact CD-CG2 3.73Å; K2-I126 HydrophobicContact CG-CG2 4.29Å
3	Y	98.7	Very high	89.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	144.4	-176.9	-57.7	-83.6	0	0	0	110.1	M1 E47 K48 I95 D105 V106 I107 V108 I174	M1-Y3 HydrophobicContact CB-CE2 3.68Å; M1-Y3 PolarHBondContact SD-OH 2.75Å; Y3-E47 HydrophobicContact CD1-CB 4.41Å; Y3-E47 HydrophobicContact CE1-CB 4.07Å; Y3-E47 HydrophobicContact CE1-CG 4.1Å; Y3-K48 HydrophobicContact CD1-CB 3.99Å; Y3-K48 HydrophobicContact CD1-CG 4.33Å; Y3-K48 HydrophobicContact CE1-CB 4.45Å; Y3-K48 HydrophobicContact CE1-CG 4.3Å; Y3-I95 HydrophobicContact CD1-CD1 3.92Å; Y3-I95 HydrophobicContact CD1-CG1 3.89Å; Y3-I95 HydrophobicContact CD1-CG2 4.15Å; Y3-I95 HydrophobicContact CD2-CD1 4.02Å; Y3-I95 HydrophobicContact CD2-CG2 4.09Å; Y3-I95 HydrophobicContact CE1-CG1 4.21Å; Y3-I95 HydrophobicContact CE1-CG2 3.73Å; Y3-I95 HydrophobicContact CE2-CG2 3.64Å; Y3-I95 HydrophobicContact CG-CD1 3.6Å; Y3-I95 HydrophobicContact CG-CG1 4.1Å; Y3-I95 HydrophobicContact CG-CG2 4.32Å; Y3-I95 VanDerWaalsContact CZ-CG2 3.44Å; Y3-D105 HydrophobicContact CE2-CB 4.19Å; Y3-V106 PolarHBondContact N-O 2.58Å; Y3-I107 CarbonylContact O-C 3.53Å; Y3-I107 WeakPolarHBondContact O-CA 2.95Å; Y3-V108 PolarHBondContact O-N 3.25Å; Y3-I174 HydrophobicContact CD2-CD1 3.7Å; Y3-I174 HydrophobicContact CE2-CD1 4.1Å
4	A	98.6	Very high	88.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	133.4	169.3	0	0	0	0	0	110	F40 F46 K48 I49 I50 V108	A4-F40 HydrophobicContact CB-CD1 3.5Å; A4-F40 HydrophobicContact CB-CE1 3.88Å; A4-F40 HydrophobicContact CB-CG 4.4Å; A4-F46 HydrophobicContact CB-CD1 3.9Å; A4-F46 HydrophobicContact CB-CD2 4.36Å; A4-F46 HydrophobicContact CB-CE1 3.85Å; A4-F46 HydrophobicContact CB-CE2 4.31Å; A4-F46 HydrophobicContact CB-CG 4.17Å; A4-F46 HydrophobicContact CB-CZ 4.05Å; A4-K48 PolarHBondContact N-O 3.42Å; A4-I49 HydrophobicContact CB-CB 4.41Å; A4-I49 HydrophobicContact CB-CG1 4.21Å; A4-I49 HydrophobicContact CB-CG2 4.25Å; A4-I50 PolarHBondContact O-N 3.31Å; A4-V108 CarbonylContact C-O 3.58Å; A4-V108 WeakPolarHBondContact CA-O 3.32Å
5	G	98.5	Very high	87.9	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	103.6	176	0	0	0	0	0	111.3	I50 V108 T109 H110	G5-I50 CarbonylContact C-O 3.54Å; G5-V108 PolarHBondContact N-O 3.02Å; G5-T109 CarbonylContact O-C 3.57Å; G5-T109 VanDerWaalsContact O-CA 3.28Å; G5-T109 WeakPolarHBondContact O-CA 3.46Å; G5-H110 PolarHBondContact O-N 2.77Å
6	I	98.3	Very high	87	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	110.9	-178.6	-51	-56.7	0	0	0	109.7	A8 L33 L37 F40 I49 I50 I51 A52 H110 A112	I6-A8 PolarHBondContact O-N 3.13Å; I6-L33 HydrophobicContact CG2-CD1 4.05Å; I6-L37 HydrophobicContact CG1-CD2 3.9Å; I6-L37 HydrophobicContact CG2-CD2 4.44Å; I6-F40 HydrophobicContact CD1-CD1 4.21Å; I6-F40 HydrophobicContact CD1-CD2 3.61Å; I6-F40 HydrophobicContact CD1-CE1 4.13Å; I6-F40 HydrophobicContact CD1-CE2 3.52Å; I6-F40 HydrophobicContact CD1-CG 3.98Å; I6-F40 HydrophobicContact CD1-CZ 3.81Å; I6-I49 HydrophobicContact CG1-CG2 4.09Å; I6-I50 PolarHBondContact N-O 2.92Å; I6-I51 HydrophobicContact CB-CG1 4.28Å; I6-A52 PolarHBondContact O-N 3.35Å; I6-H110 HydrophobicContact CD1-CB 4.26Å; I6-A112 HydrophobicContact CG2-CB 3.81Å
7	L	97	Very high	86.1	Confident	16 Å²	16	49.8 Å²	49.8	8%	0.084	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	93.6	-174.5	-50.1	-177.7	0	0	0	109.9	R84 T87 I88 I91 H110 A112	L7-R84 HydrophobicContact CD1-CG 3.92Å; L7-T87 HydrophobicContact CD2-CG2 3.78Å; L7-I88 HydrophobicContact CD1-CD1 4.09Å; L7-I88 HydrophobicContact CD1-CG1 4.04Å; L7-I88 HydrophobicContact CD2-CG1 3.82Å; L7-I91 HydrophobicContact CD2-CD1 3.77Å; L7-H110 PolarHBondContact N-O 2.98Å; L7-A112 WeakPolarHBondContact O-CB 3.32Å; L7-A112 PolarHBondContact O-N 2.88Å; L7-A112 VanDerWaalsContact O-N 3.09Å
8	A	95.2	Very high	85.4	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.008	29%	0.291	C	S	.	.			trans	-105.4	30.1	-178.5	0	0	0	0	0	112.6	I6 Q23 I51 A52 T53 P54 A112	I6-A8 PolarHBondContact O-N 3.13Å; A8-Q23 HydrophobicContact CB-CG 4.34Å; A8-Q23 PolarHBondContact O-NE2 3.34Å; A8-I51 HydrophobicContact CB-CG2 3.99Å; A8-A52 CarbonylContact C-O 3.52Å; A8-A52 WeakPolarHBondContact CA-O 3.33Å; A8-A52 WeakPolarHBondContact CB-O 3.28Å; A8-A52 PolarHBondContact N-O 3.31Å; A8-T53 PolarHBondContact O-OG1 2.91Å; A8-P54 WeakPolarHBondContact O-CD 3.36Å; A8-A112 HydrophobicContact CB-CB 3.78Å
9	G	84.6	Confident	85	Confident	32 Å²	32	53.5 Å²	53.5	33%	0.33	32%	0.316	S	S	.	.			trans	-81.6	-13.6	-177	0	0	0	0	0	116.1	I11	G9-I11 PolarHBondContact O-N 3.33Å
10	G	77	Confident	85	Confident	30 Å²	30	53.8 Å²	53.8	31%	0.309	32%	0.316	S	S	.	.			trans	-70.2	118.2	-168.5	0	0	0	0	0	113.7	G12 Q23	G10-G12 PolarHBondContact O-N 2.79Å; G10-Q23 PolarHBondContact O-OE1 3.2Å; G10-Q23 VanDerWaalsContact O-OE1 3.12Å
11	I	75.3	Confident	85.2	Confident	128 Å²	128	51.5 Å²	51.5	66%	0.656	30%	0.302	S	S	*	.			trans	-71.8	-10.1	175.7	61.7	171.9	0	0	0	114.2	G9	G9-I11 PolarHBondContact O-N 3.33Å
12	G	69.8	Low	85	Confident	10 Å²	10	47.7 Å²	47.7	10%	0.103	28%	0.283	C	S	.	.			trans	75.5	29.2	175.9	0	0	0	0	0	115	G10 R14 M15	G10-G12 PolarHBondContact O-N 2.79Å; G12-R14 PolarHBondContact O-N 3.4Å; G12-M15 VanDerWaalsContact O-CB 3.31Å; G12-M15 WeakPolarHBondContact O-CB 3.22Å; G12-M15 PolarHBondContact O-N 2.9Å
13	S	76.6	Confident	84.8	Confident	97 Å²	97	45.6 Å²	45.6	68%	0.678	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-51.3	-26.8	-177.9	54.9	0	0	0	0	115.5
14	R	77.4	Confident	84.6	Confident	149 Å²	149	46 Å²	46	56%	0.562	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-87.2	-6.5	177.3	-72	176.9	-76.8	167	-8.9	114.9	G12 G16 T219	G12-R14 PolarHBondContact O-N 3.4Å; R14-G16 PolarHBondContact O-N 3.11Å; R14-T219 VanDerWaalsContact CB-O 3.3Å; R14-T219 WeakPolarHBondContact CB-O 3.4Å
15	M	78.3	Confident	84.3	Confident	10 Å²	10	47.3 Å²	47.3	5%	0.049	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-81.4	-3.9	176.5	-68.1	-61.6	-69.5	0	0	113	G12 V18 K22 L25 T220 L224	G12-M15 VanDerWaalsContact O-CB 3.31Å; G12-M15 WeakPolarHBondContact O-CB 3.22Å; G12-M15 PolarHBondContact O-N 2.9Å; M15-V18 HydrophobicContact CB-CG1 4.2Å; M15-V18 HydrophobicContact CB-CG2 3.55Å; M15-V18 HydrophobicContact CG-CG2 4.47Å; M15-K22 HydrophobicContact CG-CB 4.03Å; M15-L25 HydrophobicContact CE-CD1 3.29Å; M15-T220 VanDerWaalsContact SD-CA 3.57Å; M15-L224 HydrophobicContact CE-CB 4.23Å; M15-L224 HydrophobicContact CE-CD2 4Å
16	G	73.6	Confident	84.1	Confident	47 Å²	47	51.5 Å²	51.5	49%	0.485	31%	0.305	S	S	.	.			trans	76.1	-159.1	-169.7	0	0	0	0	0	111.9	R14 V18	R14-G16 PolarHBondContact O-N 3.11Å; G16-V18 PolarHBondContact O-N 3.33Å
17	N	71.5	Confident	83.9	Confident	183 Å²	183	51.5 Å²	51.5	98%	0.979	31%	0.305	S	S	*	.	S	Bend	trans	-76.3	62	-179.3	-72.4	-14.7	0	0	0	112.1
18	V	73.2	Confident	83.7	Confident	51 Å²	51	53.9 Å²	53.9	31%	0.309	32%	0.318	S	S	.	.			trans	-84.9	137.2	169.2	-69.2	0	0	0	0	109.9	M15 G16 L20	M15-V18 HydrophobicContact CB-CG1 4.2Å; M15-V18 HydrophobicContact CB-CG2 3.55Å; M15-V18 HydrophobicContact CG-CG2 4.47Å; G16-V18 PolarHBondContact O-N 3.33Å; V18-L20 WeakPolarHBondContact CG2-O 3.49Å; V18-L20 PolarHBondContact O-N 2.96Å
19	P	77.6	Confident	83.5	Confident	119 Å²	119	60.4 Å²	60.4	77%	0.773	35%	0.353	S	S	*	.	S	Bend	trans	-72.6	-18.7	-177.6	29.2	-35.3	0	0	0	113.1
20	L	85.7	Confident	84	Confident	60 Å²	60	61.3 Å²	61.3	31%	0.314	35%	0.348	S	S	.	.	S	Bend	trans	-118.1	142.1	-176.4	-67.2	174.4	0	0	0	110.8	V18 F24 L25 W57	V18-L20 WeakPolarHBondContact CG2-O 3.49Å; V18-L20 PolarHBondContact O-N 2.96Å; L20-F24 HydrophobicContact CB-CB 4.41Å; L20-L25 HydrophobicContact CB-CD2 4.45Å; L20-W57 HydrophobicContact CD2-CH2 4.16Å; L20-W57 HydrophobicContact CD2-CZ3 3.97Å
21	P	89.6	Confident	84.9	Confident	5 Å²	5	60.2 Å²	60.2	3%	0.032	34%	0.335	C	S	.	.			trans	-52	143.9	166.4	-26.8	32.1	0	0	0	111.5	Q23 F24 W57	P21-Q23 VanDerWaalsContact CB-CD 3.48Å; P21-Q23 VanDerWaalsContact CB-NE2 3.26Å; P21-Q23 PolarHBondContact O-N 3.4Å; P21-Q23 VanDerWaalsContact O-N 3.07Å; P21-F24 HydrophobicContact CB-CD2 3.81Å; P21-F24 HydrophobicContact CB-CE2 4.07Å; P21-F24 HydrophobicContact CG-CD2 3.91Å; P21-F24 HydrophobicContact CG-CE2 4.01Å; P21-F24 PolarHBondContact O-N 2.67Å; P21-W57 HydrophobicContact CG-CD2 3.61Å; P21-W57 HydrophobicContact CG-CE3 4.17Å; P21-W57 HydrophobicContact CG-CG 4.06Å; P21-W57 HydrophobicContact CG-CH2 4.07Å; P21-W57 HydrophobicContact CG-CZ2 3.49Å; P21-W57 VanDerWaalsContact CG-CZ2 3.49Å; P21-W57 HydrophobicContact CG-CZ3 4.37Å; P21-W57 VanDerWaalsContact CG-NE1 3.33Å
22	K	91.1	Very high	85.9	Confident	18 Å²	18	54.1 Å²	54.1	8%	0.078	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-53.1	-34.7	-173	51.2	172.5	-171.3	175.9	0	114.6	M15 F24 L25 I32 V113 V218	M15-K22 HydrophobicContact CG-CB 4.03Å; K22-F24 PolarHBondContact O-N 3.4Å; K22-L25 HydrophobicContact CB-CD1 4.33Å; K22-L25 WeakPolarHBondContact O-CB 3.48Å; K22-L25 PolarHBondContact O-N 2.92Å; K22-L25 VanDerWaalsContact O-N 3.12Å; K22-I32 WeakPolarHBondContact O-CD1 3.42Å; K22-V113 HydrophobicContact CB-CG1 4.39Å; K22-V113 HydrophobicContact CD-CB 4.5Å; K22-V113 HydrophobicContact CD-CG1 3.87Å; K22-V113 HydrophobicContact CD-CG2 4.33Å; K22-V113 HydrophobicContact CG-CG1 3.83Å; K22-V218 WeakPolarHBondContact CD-O 3.19Å
23	Q	92.5	Very high	87.2	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.009	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-65.1	-18.7	178.4	66.6	-86	13.5	0	0	113.9	A8 G10 P21 I32 L33 A112 V113	A8-Q23 HydrophobicContact CB-CG 4.34Å; A8-Q23 PolarHBondContact O-NE2 3.34Å; G10-Q23 PolarHBondContact O-OE1 3.2Å; G10-Q23 VanDerWaalsContact O-OE1 3.12Å; P21-Q23 VanDerWaalsContact CB-CD 3.48Å; P21-Q23 VanDerWaalsContact CB-NE2 3.26Å; P21-Q23 PolarHBondContact O-N 3.4Å; P21-Q23 VanDerWaalsContact O-N 3.07Å; Q23-I32 PolarHBondContact O-N 3.37Å; Q23-L33 HydrophobicContact CB-CB 4.25Å; Q23-L33 VanDerWaalsContact O-CB 3.3Å; Q23-L33 WeakPolarHBondContact O-CB 3.39Å; Q23-L33 PolarHBondContact O-N 2.94Å; Q23-A112 HydrophobicContact CB-CB 4.16Å; Q23-V113 HydrophobicContact CB-CG1 3.96Å
24	F	95	Very high	88.2	Confident	8 Å²	8	49 Å²	49	4%	0.035	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-99.7	0.3	176.6	-53.4	-59	0	0	0	113.2	L20 P21 K22 L33 W57 H60 T61	L20-F24 HydrophobicContact CB-CB 4.41Å; P21-F24 HydrophobicContact CB-CD2 3.81Å; P21-F24 HydrophobicContact CB-CE2 4.07Å; P21-F24 HydrophobicContact CG-CD2 3.91Å; P21-F24 HydrophobicContact CG-CE2 4.01Å; P21-F24 PolarHBondContact O-N 2.67Å; K22-F24 PolarHBondContact O-N 3.4Å; F24-L33 HydrophobicContact CD1-CD2 4.5Å; F24-L33 HydrophobicContact CE1-CD2 3.9Å; F24-W57 HydrophobicContact CD2-CE3 4.39Å; F24-W57 HydrophobicContact CE2-CB 4.13Å; F24-W57 HydrophobicContact CE2-CD2 4.18Å; F24-W57 HydrophobicContact CE2-CE3 4.01Å; F24-W57 HydrophobicContact CE2-CG 4.21Å; F24-W57 HydrophobicContact CZ-CB 4.39Å; F24-H60 AromaticContact CD1-CD2 3.63Å; F24-H60 AromaticContact CD1-NE2 3.9Å; F24-H60 AromaticContact CD2-CD2 3.64Å; F24-H60 AromaticContact CD2-NE2 3.97Å; F24-H60 AromaticContact CE1-CD2 3.74Å; F24-H60 AromaticContact CE2-CD2 3.74Å; F24-H60 AromaticContact CG-CD2 3.59Å; F24-H60 AromaticContact CG-NE2 3.64Å; F24-H60 AromaticContact CZ-CD2 3.8Å; F24-T61 WeakPolarHBondContact CZ-OG1 3.46Å
25	L	93.6	Very high	89.1	Confident	27 Å²	27	43 Å²	43	14%	0.141	25%	0.245	C	C	.	.	S	Bend	trans	-70.7	145.7	171.8	-61.9	176.1	0	0	0	109.6	M15 L20 K22 P31 I32 L224	M15-L25 HydrophobicContact CE-CD1 3.29Å; L20-L25 HydrophobicContact CB-CD2 4.45Å; K22-L25 HydrophobicContact CB-CD1 4.33Å; K22-L25 WeakPolarHBondContact O-CB 3.48Å; K22-L25 PolarHBondContact O-N 2.92Å; K22-L25 VanDerWaalsContact O-N 3.12Å; L25-P31 WeakPolarHBondContact O-CA 3.41Å; L25-I32 HydrophobicContact CB-CD1 4.45Å; L25-I32 WeakPolarHBondContact O-CG1 3.25Å; L25-I32 PolarHBondContact O-N 3.17Å; L25-L224 HydrophobicContact CD1-CD2 4.25Å
26	D	93.6	Very high	90.1	Very high	88 Å²	88	42.6 Å²	42.6	47%	0.471	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	135.9	-179	-70.8	-28.5	0	0	0	111.6	P31	D26-P31 WeakPolarHBondContact OD1-CD 3.39Å
27	L	93.4	Very high	91.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	114.8	166.3	175.8	65.2	0	0	0	106.3	N29 K30 I32 H35 P115 F116 A227 N228 I231	L27-N29 PolarHBondContact O-N 3.39Å; L27-K30 CarbonylContact C-O 3.39Å; L27-K30 PolarHBondContact N-O 3.01Å; L27-K30 PolarHBondContact O-N 3.46Å; L27-K30 VanDerWaalsContact O-N 3.09Å; L27-I32 HydrophobicContact CB-CG1 4.03Å; L27-H35 PolarHBondContact O-NE2 3.4Å; L27-P115 HydrophobicContact CD2-CB 4Å; L27-P115 HydrophobicContact CD2-CG 3.66Å; L27-F116 HydrophobicContact CD2-CE1 4.04Å; L27-F116 HydrophobicContact CD2-CZ 3.73Å; L27-A227 HydrophobicContact CD1-CB 3.73Å; L27-A227 WeakPolarHBondContact CD1-O 3.45Å; L27-A227 HydrophobicContact CD2-CB 4.42Å; L27-N228 HydrophobicContact CD1-CB 4.2Å; L27-N228 VanDerWaalsContact CD1-N 3.34Å; L27-I231 HydrophobicContact CD1-CB 4.38Å; L27-I231 HydrophobicContact CD1-CG2 3.76Å; L27-I231 HydrophobicContact CD2-CD1 3.98Å; L27-I231 HydrophobicContact CG-CB 4.41Å; L27-I231 HydrophobicContact CG-CD1 3.86Å; L27-I231 HydrophobicContact CG-CG2 4.06Å
28	D	92.5	Very high	92.4	Very high	67 Å²	67	34.6 Å²	34.6	36%	0.358	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.6	53.8	-174.3	-157.3	44.6	0	0	0	114.7	K30 N228 I231 R232	D28-K30 PolarHBondContact O-N 3.28Å; D28-N228 PolarHBondContact N-OD1 3.23Å; D28-I231 HydrophobicContact CB-CD1 3.98Å; D28-I231 HydrophobicContact CB-CG1 4.39Å; D28-I231 HydrophobicContact CB-CG2 3.76Å; D28-R232 IonicContact OD1-NE 2.71Å
29	N	91.4	Very high	93.5	Very high	137 Å²	137	33.7 Å²	33.7	73%	0.733	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.9	13.5	179.1	-47.3	-64.4	0	0	0	116.1	L27	L27-N29 PolarHBondContact O-N 3.39Å
30	K	95.1	Very high	94.5	Very high	52 Å²	52	28 Å²	28	23%	0.226	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	135.9	176.9	177.4	-170.2	-54.3	-172	0	110.4	L27 D28 I34 H35 E38 F68	L27-K30 CarbonylContact C-O 3.39Å; L27-K30 PolarHBondContact N-O 3.01Å; L27-K30 PolarHBondContact O-N 3.46Å; L27-K30 VanDerWaalsContact O-N 3.09Å; D28-K30 PolarHBondContact O-N 3.28Å; K30-I34 HydrophobicContact CD-CB 4Å; K30-I34 HydrophobicContact CD-CG2 3.64Å; K30-I34 HydrophobicContact CG-CB 3.78Å; K30-I34 HydrophobicContact CG-CG2 3.86Å; K30-H35 WeakPolarHBondContact CB-NE2 3.17Å; K30-H35 PolarHBondContact O-CD2 3.47Å; K30-H35 PolarHBondContact O-NE2 3.12Å; K30-E38 IonicContact NZ-OE1 2.88Å; K30-E38 PolarHBondContact NZ-OE1 3.22Å; K30-E38 IonicContact NZ-OE2 2.57Å; K30-E38 PolarHBondContact NZ-OE2 2.97Å; K30-F68 HydrophobicContact CB-CE1 4.03Å; K30-F68 HydrophobicContact CG-CD1 4.01Å; K30-F68 HydrophobicContact CG-CE1 3.87Å
31	P	96.2	Very high	95	Very high	7 Å²	7	26.8 Å²	26.8	5%	0.045	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	142.4	-179.7	-27.5	33.3	0	0	0	112.6	L25 D26 L33 I34 H35 T64 F68	L25-P31 WeakPolarHBondContact O-CA 3.41Å; D26-P31 WeakPolarHBondContact OD1-CD 3.39Å; P31-L33 PolarHBondContact O-N 3.41Å; P31-L33 VanDerWaalsContact O-N 3.15Å; P31-I34 HydrophobicContact CB-CG1 4.14Å; P31-I34 HydrophobicContact CG-CG1 4.25Å; P31-I34 PolarHBondContact O-N 3.47Å; P31-H35 PolarHBondContact O-CD2 2.69Å; P31-H35 PolarHBondContact O-N 2.8Å; P31-T64 HydrophobicContact CB-CG2 4.29Å; P31-T64 HydrophobicContact CG-CG2 3.91Å; P31-F68 HydrophobicContact CG-CD2 4.21Å; P31-F68 HydrophobicContact CG-CE2 3.51Å; P31-F68 HydrophobicContact CG-CZ 3.92Å
32	I	96.6	Very high	95.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-53.3	-38	179	-62.2	172.2	0	0	0	111.9	K22 Q23 L25 L27 I34 H35 T36 V113 P115 V218 L224	K22-I32 WeakPolarHBondContact O-CD1 3.42Å; Q23-I32 PolarHBondContact O-N 3.37Å; L25-I32 HydrophobicContact CB-CD1 4.45Å; L25-I32 WeakPolarHBondContact O-CG1 3.25Å; L25-I32 PolarHBondContact O-N 3.17Å; L27-I32 HydrophobicContact CB-CG1 4.03Å; I32-I34 VanDerWaalsContact C-N 3.32Å; I32-I34 PolarHBondContact O-N 3.02Å; I32-H35 PolarHBondContact O-N 2.85Å; I32-T36 PolarHBondContact O-N 2.99Å; I32-T36 PolarHBondContact O-OG1 3.36Å; I32-V113 HydrophobicContact CG2-CB 4.29Å; I32-V113 HydrophobicContact CG2-CG1 4.37Å; I32-P115 HydrophobicContact CG2-CB 4.1Å; I32-P115 HydrophobicContact CG2-CG 4.01Å; I32-V218 HydrophobicContact CD1-CB 4.05Å; I32-V218 HydrophobicContact CD1-CG1 3.86Å; I32-V218 HydrophobicContact CD1-CG2 4.18Å; I32-L224 HydrophobicContact CD1-CD1 4.1Å
33	L	97.3	Very high	95.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-56.7	-44.1	174.9	175.9	62.4	0	0	0	112	I6 Q23 F24 P31 T36 L37 I51 T61 A112	I6-L33 HydrophobicContact CG2-CD1 4.05Å; Q23-L33 HydrophobicContact CB-CB 4.25Å; Q23-L33 VanDerWaalsContact O-CB 3.3Å; Q23-L33 WeakPolarHBondContact O-CB 3.39Å; Q23-L33 PolarHBondContact O-N 2.94Å; F24-L33 HydrophobicContact CD1-CD2 4.5Å; F24-L33 HydrophobicContact CE1-CD2 3.9Å; P31-L33 PolarHBondContact O-N 3.41Å; P31-L33 VanDerWaalsContact O-N 3.15Å; L33-T36 PolarHBondContact O-N 2.98Å; L33-L37 HydrophobicContact CD1-CD1 3.91Å; L33-L37 HydrophobicContact CD1-CG 4.02Å; L33-L37 HydrophobicContact CD2-CD1 4.44Å; L33-L37 HydrophobicContact CG-CD1 3.8Å; L33-L37 HydrophobicContact CG-CG 4.32Å; L33-L37 WeakPolarHBondContact O-CB 3.13Å; L33-L37 VanDerWaalsContact O-CG 3.26Å; L33-L37 WeakPolarHBondContact O-CG 3.36Å; L33-L37 PolarHBondContact O-N 3.07Å; L33-I51 HydrophobicContact CD1-CG2 4.38Å; L33-T61 HydrophobicContact CD2-CG2 4.09Å; L33-A112 HydrophobicContact CD1-CB 3.94Å
34	I	97.6	Very high	95.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-68	-44.2	-177.3	-56.9	-61.3	0	0	0	110.3	K30 P31 I32 T36 L37 E38 T64 L65 F68 I70	K30-I34 HydrophobicContact CD-CB 4Å; K30-I34 HydrophobicContact CD-CG2 3.64Å; K30-I34 HydrophobicContact CG-CB 3.78Å; K30-I34 HydrophobicContact CG-CG2 3.86Å; P31-I34 HydrophobicContact CB-CG1 4.14Å; P31-I34 HydrophobicContact CG-CG1 4.25Å; P31-I34 PolarHBondContact O-N 3.47Å; I32-I34 VanDerWaalsContact C-N 3.32Å; I32-I34 PolarHBondContact O-N 3.02Å; I34-T36 VanDerWaalsContact C-N 3.25Å; I34-T36 PolarHBondContact O-N 3.06Å; I34-L37 HydrophobicContact CD1-CD1 4.48Å; I34-L37 PolarHBondContact O-N 2.78Å; I34-L37 VanDerWaalsContact O-N 3.16Å; I34-E38 HydrophobicContact CG2-CG 4.3Å; I34-E38 WeakPolarHBondContact O-CG 3.04Å; I34-E38 PolarHBondContact O-N 2.99Å; I34-T64 HydrophobicContact CD1-CG2 4.03Å; I34-T64 HydrophobicContact CG1-CG2 4.11Å; I34-L65 HydrophobicContact CD1-CD2 3.94Å; I34-F68 HydrophobicContact CD1-CB 4.06Å; I34-F68 HydrophobicContact CD1-CD2 4.42Å; I34-F68 HydrophobicContact CD1-CG 4.42Å; I34-F68 HydrophobicContact CG1-CB 4.06Å; I34-F68 HydrophobicContact CG1-CD2 3.94Å; I34-F68 HydrophobicContact CG1-CG 3.94Å; I34-F68 HydrophobicContact CG2-CB 4.09Å; I34-F68 HydrophobicContact CG2-CG 4.34Å; I34-I70 HydrophobicContact CD1-CG1 4.01Å; I34-I70 HydrophobicContact CG2-CD1 4.17Å; I34-I70 HydrophobicContact CG2-CG1 4.3Å
35	H	96.8	Very high	95.7	Very high	23 Å²	23	41.5 Å²	41.5	11%	0.106	21%	0.214	C	C	.	.	H	α-helix	trans	-54.7	-44.3	173.7	-71.3	-75.1	0	0	0	112	L27 K30 P31 I32 P115 I231	L27-H35 PolarHBondContact O-NE2 3.4Å; K30-H35 WeakPolarHBondContact CB-NE2 3.17Å; K30-H35 PolarHBondContact O-CD2 3.47Å; K30-H35 PolarHBondContact O-NE2 3.12Å; P31-H35 PolarHBondContact O-CD2 2.69Å; P31-H35 PolarHBondContact O-N 2.8Å; I32-H35 PolarHBondContact O-N 2.85Å; H35-P115 HydrophobicContact CB-CB 3.6Å; H35-I231 WeakPolarHBondContact CE1-CD1 3.39Å
36	T	97.4	Very high	95.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.1	-46.7	178.2	-53.5	0	0	0	0	111	I32 L33 I34 E38 K39 F40 H110 A112	I32-T36 PolarHBondContact O-N 2.99Å; I32-T36 PolarHBondContact O-OG1 3.36Å; L33-T36 PolarHBondContact O-N 2.98Å; I34-T36 VanDerWaalsContact C-N 3.25Å; I34-T36 PolarHBondContact O-N 3.06Å; T36-E38 PolarHBondContact O-N 3.44Å; T36-K39 PolarHBondContact O-N 2.95Å; T36-F40 HydrophobicContact CG2-CE2 4.3Å; T36-F40 WeakPolarHBondContact O-CD2 3.43Å; T36-H110 VanDerWaalsContact CG2-CD2 3.49Å; T36-H110 WeakPolarHBondContact CG2-CD2 3.33Å; T36-A112 PolarHBondContact OG1-O 3.33Å
37	L	97.8	Very high	96	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.9	-39	-178.5	-73.3	170.7	0	0	0	113.1	I6 L33 I34 K39 F40 I41 I49 I51 L65	I6-L37 HydrophobicContact CG1-CD2 3.9Å; I6-L37 HydrophobicContact CG2-CD2 4.44Å; L33-L37 HydrophobicContact CD1-CD1 3.91Å; L33-L37 HydrophobicContact CD1-CG 4.02Å; L33-L37 HydrophobicContact CD2-CD1 4.44Å; L33-L37 HydrophobicContact CG-CD1 3.8Å; L33-L37 HydrophobicContact CG-CG 4.32Å; L33-L37 WeakPolarHBondContact O-CB 3.13Å; L33-L37 VanDerWaalsContact O-CG 3.26Å; L33-L37 WeakPolarHBondContact O-CG 3.36Å; L33-L37 PolarHBondContact O-N 3.07Å; I34-L37 HydrophobicContact CD1-CD1 4.48Å; I34-L37 PolarHBondContact O-N 2.78Å; I34-L37 VanDerWaalsContact O-N 3.16Å; L37-K39 PolarHBondContact O-N 3.33Å; L37-F40 PolarHBondContact O-N 3.37Å; L37-I41 HydrophobicContact CB-CD1 4.4Å; L37-I41 WeakPolarHBondContact O-CG1 3.25Å; L37-I41 PolarHBondContact O-N 2.62Å; L37-I49 HydrophobicContact CD2-CG2 4.08Å; L37-I51 HydrophobicContact CD1-CD1 3.56Å; L37-I51 HydrophobicContact CD2-CD1 3.68Å; L37-I51 HydrophobicContact CD2-CG1 3.81Å; L37-I51 HydrophobicContact CG-CD1 4.25Å; L37-L65 HydrophobicContact CD1-CD2 3.46Å; L37-L65 VanDerWaalsContact CD1-CD2 3.46Å
38	E	96.7	Very high	96.3	Very high	62 Å²	62	42.3 Å²	42.3	29%	0.29	21%	0.214	S	C	.	.	H	α-helix	trans	-55.8	-37.8	178.9	-76	172.6	163.7	0	0	111.7	K30 I34 T36 F40 I41 L42 I70	K30-E38 IonicContact NZ-OE1 2.88Å; K30-E38 PolarHBondContact NZ-OE1 3.22Å; K30-E38 IonicContact NZ-OE2 2.57Å; K30-E38 PolarHBondContact NZ-OE2 2.97Å; I34-E38 HydrophobicContact CG2-CG 4.3Å; I34-E38 WeakPolarHBondContact O-CG 3.04Å; I34-E38 PolarHBondContact O-N 2.99Å; T36-E38 PolarHBondContact O-N 3.44Å; E38-F40 VanDerWaalsContact C-N 3.34Å; E38-F40 PolarHBondContact O-N 2.93Å; E38-I41 PolarHBondContact O-N 3.26Å; E38-L42 WeakPolarHBondContact O-CG 3.27Å; E38-L42 PolarHBondContact O-N 3.28Å; E38-I70 HydrophobicContact CG-CD1 4.48Å
39	K	96.5	Very high	96.6	Very high	32 Å²	32	39.1 Å²	39.1	14%	0.139	20%	0.197	C	C	.	.	H	α-helix	trans	-66.2	-32	176.1	-60.1	-62.2	-168.6	-179.9	0	113.4	T36 L37 L117 I122 A236 D238	T36-K39 PolarHBondContact O-N 2.95Å; L37-K39 PolarHBondContact O-N 3.33Å; K39-L117 WeakPolarHBondContact CD-O 3.31Å; K39-L117 WeakPolarHBondContact CG-O 3.39Å; K39-I122 HydrophobicContact CB-CD1 4.45Å; K39-A236 PolarHBondContact NZ-O 3.06Å; K39-D238 PolarHBondContact NZ-O 3.34Å
40	F	97.9	Very high	96.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-80.5	-37.3	176	-76.6	-92.2	0	0	0	112.4	A4 I6 T36 L37 E38 L42 I43 F46 I49 V108 H110 L117	A4-F40 HydrophobicContact CB-CD1 3.5Å; A4-F40 HydrophobicContact CB-CE1 3.88Å; A4-F40 HydrophobicContact CB-CG 4.4Å; I6-F40 HydrophobicContact CD1-CD1 4.21Å; I6-F40 HydrophobicContact CD1-CD2 3.61Å; I6-F40 HydrophobicContact CD1-CE1 4.13Å; I6-F40 HydrophobicContact CD1-CE2 3.52Å; I6-F40 HydrophobicContact CD1-CG 3.98Å; I6-F40 HydrophobicContact CD1-CZ 3.81Å; T36-F40 HydrophobicContact CG2-CE2 4.3Å; T36-F40 WeakPolarHBondContact O-CD2 3.43Å; L37-F40 PolarHBondContact O-N 3.37Å; E38-F40 VanDerWaalsContact C-N 3.34Å; E38-F40 PolarHBondContact O-N 2.93Å; F40-L42 VanDerWaalsContact C-N 3.25Å; F40-L42 PolarHBondContact O-N 3.19Å; F40-I43 PolarHBondContact O-N 2.92Å; F40-F46 HydrophobicContact CD1-CD2 4.36Å; F40-F46 AromaticContact CD1-CE2 3.63Å; F40-F46 HydrophobicContact CD1-CE2 3.63Å; F40-F46 AromaticContact CD1-CZ 3.91Å; F40-F46 HydrophobicContact CD1-CZ 3.91Å; F40-F46 HydrophobicContact CE1-CE2 4.27Å; F40-F46 HydrophobicContact CE1-CZ 4.12Å; F40-I49 HydrophobicContact CB-CD1 4.06Å; F40-I49 HydrophobicContact CB-CG2 4.38Å; F40-V108 HydrophobicContact CE1-CG1 4.13Å; F40-H110 HydrophobicContact CE2-CB 3.94Å; F40-H110 AromaticContact CE2-CD2 3.75Å; F40-H110 AromaticContact CE2-CG 3.9Å; F40-H110 HydrophobicContact CZ-CB 3.49Å; F40-H110 VanDerWaalsContact CZ-CB 3.49Å; F40-H110 AromaticContact CZ-CG 3.78Å; F40-L117 HydrophobicContact CE2-CD2 3.57Å; F40-L117 HydrophobicContact CZ-CD2 3.62Å
41	I	97.4	Very high	97.1	Very high	35 Å²	35	30.1 Å²	30.1	18%	0.179	15%	0.151	C	C	.	.	H	α-helix	trans	-59.3	-38.9	177.7	-71.1	165.4	0	0	0	110.8	L37 E38 I43 I49 I70 D72 R74 I75	L37-I41 HydrophobicContact CB-CD1 4.4Å; L37-I41 WeakPolarHBondContact O-CG1 3.25Å; L37-I41 PolarHBondContact O-N 2.62Å; E38-I41 PolarHBondContact O-N 3.26Å; I41-I43 PolarHBondContact O-N 3.43Å; I41-I43 VanDerWaalsContact O-N 3.12Å; I41-I49 HydrophobicContact CG1-CD1 4.17Å; I41-I70 HydrophobicContact CD1-CD1 4.15Å; I41-I70 HydrophobicContact CD1-CG2 3.81Å; I41-D72 HydrophobicContact CG1-CB 4.38Å; I41-R74 PolarHBondContact O-NH2 2.8Å; I41-I75 HydrophobicContact CD1-CD1 3.75Å; I41-I75 HydrophobicContact CG1-CD1 3.93Å
42	L	96.1	Very high	97.2	Very high	113 Å²	113	29.8 Å²	29.8	59%	0.592	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-8.7	178.5	-68.4	172.9	0	0	0	114.2	E38 F40	E38-L42 WeakPolarHBondContact O-CG 3.27Å; E38-L42 PolarHBondContact O-N 3.28Å; F40-L42 VanDerWaalsContact C-N 3.25Å; F40-L42 PolarHBondContact O-N 3.19Å
43	I	95.9	Very high	97.2	Very high	7 Å²	7	29.8 Å²	29.8	4%	0.036	15%	0.149	C	C	.	.			trans	-99.7	104.4	176.4	-56.7	-60.8	0	0	0	109.4	F40 I41 D45 F46 R74 H119 I122 K123 I126	F40-I43 PolarHBondContact O-N 2.92Å; I41-I43 PolarHBondContact O-N 3.43Å; I41-I43 VanDerWaalsContact O-N 3.12Å; I43-D45 HydrophobicContact CG2-CB 3.95Å; I43-D45 PolarHBondContact O-N 2.92Å; I43-F46 HydrophobicContact CB-CD2 3.9Å; I43-F46 HydrophobicContact CB-CE2 3.85Å; I43-F46 HydrophobicContact CG1-CE2 4.48Å; I43-F46 HydrophobicContact CG2-CD2 3.81Å; I43-F46 HydrophobicContact CG2-CE2 3.7Å; I43-R74 PolarHBondContact O-NH1 3.05Å; I43-H119 HydrophobicContact CD1-CB 4.08Å; I43-I122 HydrophobicContact CG1-CD1 4.17Å; I43-I122 HydrophobicContact CG1-CG2 4.14Å; I43-I122 HydrophobicContact CG2-CG2 4.49Å; I43-K123 HydrophobicContact CD1-CG 4.49Å; I43-I126 HydrophobicContact CG2-CD1 4.42Å
44	N	94.8	Very high	97	Very high	138 Å²	138	31.3 Å²	31.3	74%	0.738	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-11.9	-177.8	-66.7	-16.7	0	0	0	114.3	F46	N44-F46 VanDerWaalsContact C-N 3.25Å; N44-F46 PolarHBondContact O-N 3.3Å
45	D	94.3	Very high	96.9	Very high	83 Å²	83	36.3 Å²	36.3	44%	0.444	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-20.9	-177.8	-80.2	31.4	0	0	0	114	K2 I43	K2-D45 HydrophobicContact CD-CB 3.82Å; K2-D45 IonicContact NZ-OD2 2.69Å; K2-D45 PolarHBondContact NZ-OD2 3.22Å; I43-D45 HydrophobicContact CG2-CB 3.95Å; I43-D45 PolarHBondContact O-N 2.92Å
46	F	97.8	Very high	96.7	Very high	5 Å²	5	42.4 Å²	42.4	2%	0.022	21%	0.211	C	C	.	.			trans	-79.4	131.3	-178	-68.2	-64.3	0	0	0	111.8	K2 A4 F40 I43 N44 I49 R74 V108 I122 I126	K2-F46 HydrophobicContact CB-CD1 4.17Å; K2-F46 CarbonylContact O-C 3.56Å; K2-F46 WeakPolarHBondContact O-CA 3.37Å; A4-F46 HydrophobicContact CB-CD1 3.9Å; A4-F46 HydrophobicContact CB-CD2 4.36Å; A4-F46 HydrophobicContact CB-CE1 3.85Å; A4-F46 HydrophobicContact CB-CE2 4.31Å; A4-F46 HydrophobicContact CB-CG 4.17Å; A4-F46 HydrophobicContact CB-CZ 4.05Å; F40-F46 HydrophobicContact CD1-CD2 4.36Å; F40-F46 AromaticContact CD1-CE2 3.63Å; F40-F46 HydrophobicContact CD1-CE2 3.63Å; F40-F46 AromaticContact CD1-CZ 3.91Å; F40-F46 HydrophobicContact CD1-CZ 3.91Å; F40-F46 HydrophobicContact CE1-CE2 4.27Å; F40-F46 HydrophobicContact CE1-CZ 4.12Å; I43-F46 HydrophobicContact CB-CD2 3.9Å; I43-F46 HydrophobicContact CB-CE2 3.85Å; I43-F46 HydrophobicContact CG1-CE2 4.48Å; I43-F46 HydrophobicContact CG2-CD2 3.81Å; I43-F46 HydrophobicContact CG2-CE2 3.7Å; N44-F46 VanDerWaalsContact C-N 3.25Å; N44-F46 PolarHBondContact O-N 3.3Å; F46-I49 HydrophobicContact CB-CG1 4.25Å; F46-R74 WeakPolarHBondContact O-CD 3.17Å; F46-R74 PolarHBondContact O-NH1 3.14Å; F46-V108 HydrophobicContact CE1-CB 4.01Å; F46-V108 HydrophobicContact CE1-CG2 3.87Å; F46-V108 HydrophobicContact CZ-CB 4.14Å; F46-V108 HydrophobicContact CZ-CG1 4.47Å; F46-V108 HydrophobicContact CZ-CG2 4.13Å; F46-I122 HydrophobicContact CE2-CG2 3.85Å; F46-I122 HydrophobicContact CZ-CG2 3.77Å; F46-I126 HydrophobicContact CE1-CD1 4.12Å; F46-I126 HydrophobicContact CE2-CD1 4.42Å; F46-I126 HydrophobicContact CZ-CD1 3.84Å; F46-I126 HydrophobicContact CZ-CG1 4.44Å
47	E	97.4	Very high	96.6	Very high	87 Å²	87	44.6 Å²	44.6	41%	0.407	22%	0.219	S	C	.	.	S	Bend	trans	-74.4	-44.6	170.7	-177.9	60.3	-153.2	0	0	110.7	M1 K2 Y3	M1-E47 HydrophobicContact SD-CG 4.37Å; K2-E47 PolarHBondContact O-N 2.92Å; Y3-E47 HydrophobicContact CD1-CB 4.41Å; Y3-E47 HydrophobicContact CE1-CB 4.07Å; Y3-E47 HydrophobicContact CE1-CG 4.1Å
48	K	98.2	Very high	96.5	Very high	40 Å²	40	46 Å²	46	17%	0.174	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	149.1	174.4	-57.9	-70	179.1	163.3	0	112.4	Y3 A4 I50 R74 E76	Y3-K48 HydrophobicContact CD1-CB 3.99Å; Y3-K48 HydrophobicContact CD1-CG 4.33Å; Y3-K48 HydrophobicContact CE1-CB 4.45Å; Y3-K48 HydrophobicContact CE1-CG 4.3Å; A4-K48 PolarHBondContact N-O 3.42Å; K48-I50 HydrophobicContact CB-CD1 4.3Å; K48-I50 HydrophobicContact CB-CG1 4.05Å; K48-R74 CarbonylContact C-O 3.55Å; K48-R74 WeakPolarHBondContact CA-O 3.5Å; K48-E76 HydrophobicContact CD-CG 4.49Å; K48-E76 WeakPolarHBondContact CD-OE1 3.23Å; K48-E76 VanDerWaalsContact CE-OE1 3.25Å; K48-E76 WeakPolarHBondContact CE-OE1 3.37Å; K48-E76 IonicContact NZ-OE1 2.74Å; K48-E76 PolarHBondContact NZ-OE1 3.13Å
49	I	98.5	Very high	96.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	100.4	171.5	-57	171.5	0	0	0	107.5	A4 I6 L37 F40 I41 F46 R74 I75 E76	A4-I49 HydrophobicContact CB-CB 4.41Å; A4-I49 HydrophobicContact CB-CG1 4.21Å; A4-I49 HydrophobicContact CB-CG2 4.25Å; I6-I49 HydrophobicContact CG1-CG2 4.09Å; L37-I49 HydrophobicContact CD2-CG2 4.08Å; F40-I49 HydrophobicContact CB-CD1 4.06Å; F40-I49 HydrophobicContact CB-CG2 4.38Å; I41-I49 HydrophobicContact CG1-CD1 4.17Å; F46-I49 HydrophobicContact CB-CG1 4.25Å; I49-R74 PolarHBondContact N-O 2.83Å; I49-I75 HydrophobicContact CB-CG1 4.04Å; I49-I75 HydrophobicContact CD1-CG1 4.41Å; I49-I75 HydrophobicContact CG2-CG1 4.34Å; I49-I75 VanDerWaalsContact O-CA 3.29Å; I49-I75 WeakPolarHBondContact O-CA 3.15Å; I49-E76 PolarHBondContact O-N 2.9Å
50	I	98.7	Very high	96.4	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	118.4	-170.5	-59.5	164.7	0	0	0	109.4	A4 G5 I6 K48 E76 I78 I91 I95	A4-I50 PolarHBondContact O-N 3.31Å; G5-I50 CarbonylContact C-O 3.54Å; I6-I50 PolarHBondContact N-O 2.92Å; K48-I50 HydrophobicContact CB-CD1 4.3Å; K48-I50 HydrophobicContact CB-CG1 4.05Å; I50-E76 CarbonylContact C-O 3.49Å; I50-E76 WeakPolarHBondContact CA-O 3.44Å; I50-I78 HydrophobicContact CG2-CD1 3.69Å; I50-I78 HydrophobicContact CG2-CG1 3.74Å; I50-I78 HydrophobicContact CG2-CG2 4.09Å; I50-I91 HydrophobicContact CB-CG2 4Å; I50-I91 HydrophobicContact CD1-CG2 3.76Å; I50-I91 HydrophobicContact CG1-CG2 4.5Å; I50-I91 HydrophobicContact CG2-CB 4.47Å; I50-I91 HydrophobicContact CG2-CG1 4.01Å; I50-I91 HydrophobicContact CG2-CG2 3.99Å; I50-I95 HydrophobicContact CD1-CD1 3.88Å; I50-I95 HydrophobicContact CD1-CG1 3.41Å; I50-I95 VanDerWaalsContact CD1-CG1 3.41Å
51	I	98.6	Very high	96.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	113.7	176.4	-52.9	168.5	0	0	0	108.3	I6 A8 L33 L37 T61 L65 I75 E76 V77 I78	I6-I51 HydrophobicContact CB-CG1 4.28Å; A8-I51 HydrophobicContact CB-CG2 3.99Å; L33-I51 HydrophobicContact CD1-CG2 4.38Å; L37-I51 HydrophobicContact CD1-CD1 3.56Å; L37-I51 HydrophobicContact CD2-CD1 3.68Å; L37-I51 HydrophobicContact CD2-CG1 3.81Å; L37-I51 HydrophobicContact CG-CD1 4.25Å; I51-T61 HydrophobicContact CG2-CG2 4.11Å; I51-L65 HydrophobicContact CD1-CD1 4.04Å; I51-L65 HydrophobicContact CD1-CD2 4.17Å; I51-I75 HydrophobicContact CD1-CG2 3.75Å; I51-I75 HydrophobicContact CG1-CG2 4.4Å; I51-E76 PolarHBondContact N-O 2.83Å; I51-V77 HydrophobicContact CB-CG2 4.39Å; I51-V77 HydrophobicContact CD1-CG2 4.27Å; I51-V77 WeakPolarHBondContact O-CA 3.34Å; I51-I78 PolarHBondContact O-N 2.73Å
52	A	98.2	Very high	96.4	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	118.5	176.1	0	0	0	0	0	110.4	I6 A8 I78 T87 I91	I6-A52 PolarHBondContact O-N 3.35Å; A8-A52 CarbonylContact C-O 3.52Å; A8-A52 WeakPolarHBondContact CA-O 3.33Å; A8-A52 WeakPolarHBondContact CB-O 3.28Å; A8-A52 PolarHBondContact N-O 3.31Å; A52-I78 HydrophobicContact CB-CD1 4.36Å; A52-I78 HydrophobicContact CB-CG1 3.95Å; A52-T87 HydrophobicContact CB-CG2 3.38Å; A52-I91 HydrophobicContact CB-CD1 3.83Å; A52-I91 HydrophobicContact CB-CG1 3.85Å
53	T	96.6	Very high	96.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	155.5	-174.3	-164.7	0	0	0	0	111	A8 M58 T61 V77 I78 Q79 G80	A8-T53 PolarHBondContact O-OG1 2.91Å; T53-M58 HydrophobicContact CG2-CB 4.39Å; T53-M58 HydrophobicContact CG2-CG 3.8Å; T53-T61 PolarHBondContact OG1-OG1 3.34Å; T53-V77 HydrophobicContact CG2-CG1 3.99Å; T53-I78 PolarHBondContact N-O 2.83Å; T53-I78 VanDerWaalsContact N-O 3.12Å; T53-Q79 WeakPolarHBondContact O-CA 3.25Å; T53-G80 PolarHBondContact O-N 2.88Å
54	P	94.4	Very high	96.5	Very high	31 Å²	31	49.9 Å²	49.9	20%	0.201	25%	0.249	C	C	.	.			trans	-61.6	148	178.3	-20.3	34.4	0	0	0	110.8	A8 Q56 W57 M58	A8-P54 WeakPolarHBondContact O-CD 3.36Å; P54-Q56 HydrophobicContact CB-CG 4.47Å; P54-Q56 PolarHBondContact O-N 2.95Å; P54-Q56 VanDerWaalsContact O-N 3.1Å; P54-W57 WeakPolarHBondContact O-CA 3.47Å; P54-W57 PolarHBondContact O-N 2.9Å; P54-M58 PolarHBondContact O-N 3.24Å
55	Q	94.2	Very high	96.7	Very high	106 Å²	106	44 Å²	44	50%	0.495	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-48.6	-45.7	-175.5	-175.6	60.5	24.7	0	0	113	W57 M58 Q79	Q55-W57 PolarHBondContact O-N 2.96Å; Q55-W57 VanDerWaalsContact O-N 3.16Å; Q55-M58 PolarHBondContact O-N 3.31Å; Q55-M58 PolarHBondContact OE1-SD 3.34Å; Q55-Q79 HydrophobicContact CB-CG 4.13Å; Q55-Q79 VanDerWaalsContact OE1-OE1 3.06Å
56	Q	93.6	Very high	96.8	Very high	150 Å²	150	48.3 Å²	48.3	70%	0.701	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-63.9	-18.3	-179.4	70.6	-173.8	49.3	0	0	114.4	P54	P54-Q56 HydrophobicContact CB-CG 4.47Å; P54-Q56 PolarHBondContact O-N 2.95Å; P54-Q56 VanDerWaalsContact O-N 3.1Å
57	W	94.8	Very high	96.8	Very high	46 Å²	46	55.6 Å²	55.6	17%	0.174	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-106.9	2.4	-179.1	-64.3	112.7	0	0	0	113.4	L20 P21 F24 P54 Q55 T59 H60 T61	L20-W57 HydrophobicContact CD2-CH2 4.16Å; L20-W57 HydrophobicContact CD2-CZ3 3.97Å; P21-W57 HydrophobicContact CG-CD2 3.61Å; P21-W57 HydrophobicContact CG-CE3 4.17Å; P21-W57 HydrophobicContact CG-CG 4.06Å; P21-W57 HydrophobicContact CG-CH2 4.07Å; P21-W57 HydrophobicContact CG-CZ2 3.49Å; P21-W57 VanDerWaalsContact CG-CZ2 3.49Å; P21-W57 HydrophobicContact CG-CZ3 4.37Å; P21-W57 VanDerWaalsContact CG-NE1 3.33Å; F24-W57 HydrophobicContact CD2-CE3 4.39Å; F24-W57 HydrophobicContact CE2-CB 4.13Å; F24-W57 HydrophobicContact CE2-CD2 4.18Å; F24-W57 HydrophobicContact CE2-CE3 4.01Å; F24-W57 HydrophobicContact CE2-CG 4.21Å; F24-W57 HydrophobicContact CZ-CB 4.39Å; P54-W57 WeakPolarHBondContact O-CA 3.47Å; P54-W57 PolarHBondContact O-N 2.9Å; Q55-W57 PolarHBondContact O-N 2.96Å; Q55-W57 VanDerWaalsContact O-N 3.16Å; W57-T59 PolarHBondContact O-N 3.45Å; W57-H60 HydrophobicContact CE3-CB 3.87Å; W57-H60 AromaticContact CE3-CG 3.98Å; W57-H60 HydrophobicContact CZ3-CB 4.47Å; W57-H60 PolarHBondContact O-N 2.78Å; W57-T61 WeakPolarHBondContact O-CB 3.48Å; W57-T61 PolarHBondContact O-N 3.49Å; W57-T61 PolarHBondContact O-OG1 3.05Å
58	M	95.6	Very high	96.8	Very high	30 Å²	30	53.9 Å²	53.9	15%	0.148	25%	0.25	C	S	.	.	H	α-helix	trans	-60.2	-48	179.5	-73.5	-172.9	75.1	0	0	112.7	T53 P54 Q55 T61 K62 Q79	T53-M58 HydrophobicContact CG2-CB 4.39Å; T53-M58 HydrophobicContact CG2-CG 3.8Å; P54-M58 PolarHBondContact O-N 3.24Å; Q55-M58 PolarHBondContact O-N 3.31Å; Q55-M58 PolarHBondContact OE1-SD 3.34Å; M58-T61 PolarHBondContact O-N 3.28Å; M58-K62 WeakPolarHBondContact O-CG 3.02Å; M58-K62 PolarHBondContact O-N 3.1Å; M58-Q79 HydrophobicContact SD-CB 4.09Å
59	T	96.3	Very high	96.7	Very high	99 Å²	99	60.9 Å²	60.9	61%	0.607	28%	0.281	S	S	*	.	H	α-helix	trans	-61.7	-48.1	177.5	-56.2	0	0	0	0	110.6	W57 T61 K62 D63	W57-T59 PolarHBondContact O-N 3.45Å; T59-T61 VanDerWaalsContact C-N 3.28Å; T59-T61 PolarHBondContact O-N 3.01Å; T59-K62 PolarHBondContact O-N 2.95Å; T59-K62 VanDerWaalsContact O-N 3.17Å; T59-D63 WeakPolarHBondContact O-CB 3.11Å; T59-D63 PolarHBondContact O-N 3.45Å
60	H	95.9	Very high	96.6	Very high	60 Å²	60	62.3 Å²	62.3	28%	0.278	29%	0.288	S	S	.	.	H	α-helix	trans	-59.6	-38.6	178.4	-170.1	84.6	0	0	0	112.6	F24 W57 D63 T64	F24-H60 AromaticContact CD1-CD2 3.63Å; F24-H60 AromaticContact CD1-NE2 3.9Å; F24-H60 AromaticContact CD2-CD2 3.64Å; F24-H60 AromaticContact CD2-NE2 3.97Å; F24-H60 AromaticContact CE1-CD2 3.74Å; F24-H60 AromaticContact CE2-CD2 3.74Å; F24-H60 AromaticContact CG-CD2 3.59Å; F24-H60 AromaticContact CG-NE2 3.64Å; F24-H60 AromaticContact CZ-CD2 3.8Å; W57-H60 HydrophobicContact CE3-CB 3.87Å; W57-H60 AromaticContact CE3-CG 3.98Å; W57-H60 HydrophobicContact CZ3-CB 4.47Å; W57-H60 PolarHBondContact O-N 2.78Å; H60-D63 PolarHBondContact O-N 3.12Å; H60-T64 WeakPolarHBondContact O-CB 3.28Å; H60-T64 PolarHBondContact O-N 3.13Å; H60-T64 PolarHBondContact O-OG1 3.07Å
61	T	97.2	Very high	96.4	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-61.4	-51.6	175.3	-58.5	0	0	0	0	110.5	F24 L33 I51 T53 W57 M58 T59 D63 T64 L65 V77	F24-T61 WeakPolarHBondContact CZ-OG1 3.46Å; L33-T61 HydrophobicContact CD2-CG2 4.09Å; I51-T61 HydrophobicContact CG2-CG2 4.11Å; T53-T61 PolarHBondContact OG1-OG1 3.34Å; W57-T61 WeakPolarHBondContact O-CB 3.48Å; W57-T61 PolarHBondContact O-N 3.49Å; W57-T61 PolarHBondContact O-OG1 3.05Å; M58-T61 PolarHBondContact O-N 3.28Å; T59-T61 VanDerWaalsContact C-N 3.28Å; T59-T61 PolarHBondContact O-N 3.01Å; T61-D63 VanDerWaalsContact C-N 3.33Å; T61-D63 PolarHBondContact O-N 2.95Å; T61-T64 WeakPolarHBondContact O-CB 3.49Å; T61-T64 PolarHBondContact O-N 2.85Å; T61-L65 WeakPolarHBondContact O-CG 3.25Å; T61-L65 PolarHBondContact O-N 2.79Å; T61-V77 HydrophobicContact CG2-CG1 3.88Å; T61-V77 HydrophobicContact CG2-CG2 4.01Å
62	K	97.4	Very high	96.2	Very high	96 Å²	96	69.6 Å²	69.6	42%	0.417	34%	0.336	S	S	.	.	H	α-helix	trans	-60.7	-41.2	178	-69.2	178.5	-179.8	-177.1	0	112.1	M58 T59 T64 L65 R66 V77	M58-K62 WeakPolarHBondContact O-CG 3.02Å; M58-K62 PolarHBondContact O-N 3.1Å; T59-K62 PolarHBondContact O-N 2.95Å; T59-K62 VanDerWaalsContact O-N 3.17Å; K62-T64 VanDerWaalsContact C-N 3.33Å; K62-T64 PolarHBondContact O-N 2.82Å; K62-L65 PolarHBondContact O-N 3.06Å; K62-R66 WeakPolarHBondContact O-CG 3.38Å; K62-R66 PolarHBondContact O-N 2.72Å; K62-V77 HydrophobicContact CG-CB 4.21Å; K62-V77 HydrophobicContact CG-CG1 4.42Å; K62-V77 HydrophobicContact CG-CG2 4.11Å
63	D	97.3	Very high	96.2	Very high	65 Å²	65	78 Å²	78	35%	0.348	38%	0.375	S	S	.	.	H	α-helix	trans	-63.9	-39.9	177	-65.2	-4.4	0	0	0	111.5	T59 H60 T61 R66 K67	T59-D63 WeakPolarHBondContact O-CB 3.11Å; T59-D63 PolarHBondContact O-N 3.45Å; H60-D63 PolarHBondContact O-N 3.12Å; T61-D63 VanDerWaalsContact C-N 3.33Å; T61-D63 PolarHBondContact O-N 2.95Å; D63-R66 PolarHBondContact O-N 2.68Å; D63-R66 IonicContact OD1-CZ 3.81Å; D63-R66 IonicContact OD1-NH1 3.78Å; D63-R66 IonicContact OD1-NH2 3.35Å; D63-R66 PolarHBondContact OD1-NH2 2.84Å; D63-K67 WeakPolarHBondContact O-CB 3.39Å; D63-K67 PolarHBondContact O-N 3.3Å
64	T	97.2	Very high	96.2	Very high	11 Å²	11	79.6 Å²	79.6	7%	0.067	38%	0.381	C	S	.	.	H	α-helix	trans	-63.1	-46	176	-60.3	0	0	0	0	111.1	P31 I34 H60 T61 K62 R66 K67 F68	P31-T64 HydrophobicContact CB-CG2 4.29Å; P31-T64 HydrophobicContact CG-CG2 3.91Å; I34-T64 HydrophobicContact CD1-CG2 4.03Å; I34-T64 HydrophobicContact CG1-CG2 4.11Å; H60-T64 WeakPolarHBondContact O-CB 3.28Å; H60-T64 PolarHBondContact O-N 3.13Å; H60-T64 PolarHBondContact O-OG1 3.07Å; T61-T64 WeakPolarHBondContact O-CB 3.49Å; T61-T64 PolarHBondContact O-N 2.85Å; K62-T64 VanDerWaalsContact C-N 3.33Å; K62-T64 PolarHBondContact O-N 2.82Å; T64-R66 VanDerWaalsContact C-N 3.34Å; T64-R66 PolarHBondContact O-N 2.7Å; T64-K67 PolarHBondContact O-N 2.83Å; T64-F68 HydrophobicContact CG2-CD2 4.18Å; T64-F68 HydrophobicContact CG2-CE2 4.48Å; T64-F68 WeakPolarHBondContact O-CD2 3.48Å; T64-F68 PolarHBondContact O-N 3.41Å; T64-F68 VanDerWaalsContact O-N 3.1Å
65	L	98	Very high	96.4	Very high	15 Å²	15	79.4 Å²	79.4	8%	0.079	38%	0.378	C	S	.	.	H	α-helix	trans	-57.4	-46.1	174.6	-62.9	177.6	0	0	0	111.7	I34 L37 I51 T61 K62 F68 K69 I70 I75 V77	I34-L65 HydrophobicContact CD1-CD2 3.94Å; L37-L65 HydrophobicContact CD1-CD2 3.46Å; L37-L65 VanDerWaalsContact CD1-CD2 3.46Å; I51-L65 HydrophobicContact CD1-CD1 4.04Å; I51-L65 HydrophobicContact CD1-CD2 4.17Å; T61-L65 WeakPolarHBondContact O-CG 3.25Å; T61-L65 PolarHBondContact O-N 2.79Å; K62-L65 PolarHBondContact O-N 3.06Å; L65-F68 CarbonylContact O-C 3.59Å; L65-F68 PolarHBondContact O-N 2.88Å; L65-K69 PolarHBondContact O-N 3.05Å; L65-K69 VanDerWaalsContact O-N 3.1Å; L65-I70 HydrophobicContact CB-CB 4.24Å; L65-I70 HydrophobicContact CD2-CB 4.1Å; L65-I70 HydrophobicContact CD2-CG1 4.35Å; L65-I70 HydrophobicContact CD2-CG2 4.06Å; L65-I70 PolarHBondContact O-N 2.78Å; L65-I75 HydrophobicContact CD1-CG2 4.02Å; L65-V77 HydrophobicContact CD1-CG2 3.75Å
66	R	97.4	Very high	96.6	Very high	172 Å²	172	76.5 Å²	76.5	65%	0.649	37%	0.365	S	S	*	.	H	α-helix	trans	-63	-44.2	177.2	-69.3	-166.7	-55.7	-115.1	5.5	112.5	K62 D63 T64 F68 K69	K62-R66 WeakPolarHBondContact O-CG 3.38Å; K62-R66 PolarHBondContact O-N 2.72Å; D63-R66 PolarHBondContact O-N 2.68Å; D63-R66 IonicContact OD1-CZ 3.81Å; D63-R66 IonicContact OD1-NH1 3.78Å; D63-R66 IonicContact OD1-NH2 3.35Å; D63-R66 PolarHBondContact OD1-NH2 2.84Å; T64-R66 VanDerWaalsContact C-N 3.34Å; T64-R66 PolarHBondContact O-N 2.7Å; R66-F68 VanDerWaalsContact C-N 3.25Å; R66-F68 PolarHBondContact O-N 2.82Å; R66-K69 PolarHBondContact O-N 2.87Å; R66-K69 VanDerWaalsContact O-N 3.08Å
67	K	97.3	Very high	96.8	Very high	158 Å²	158	70.4 Å²	70.4	69%	0.687	34%	0.338	S	S	*	.	H	α-helix	trans	-57.5	-40.1	178.4	-179.9	-177.5	174	-171.6	0	111.6	D63 T64 K69	D63-K67 WeakPolarHBondContact O-CB 3.39Å; D63-K67 PolarHBondContact O-N 3.3Å; T64-K67 PolarHBondContact O-N 2.83Å; K67-K69 VanDerWaalsContact C-N 3.35Å
68	F	97.2	Very high	96.9	Very high	52 Å²	52	69 Å²	69	23%	0.228	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	12.8	179.5	-73.1	-86.3	0	0	0	113.8	K30 P31 I34 T64 L65 R66 I70	K30-F68 HydrophobicContact CB-CE1 4.03Å; K30-F68 HydrophobicContact CG-CD1 4.01Å; K30-F68 HydrophobicContact CG-CE1 3.87Å; P31-F68 HydrophobicContact CG-CD2 4.21Å; P31-F68 HydrophobicContact CG-CE2 3.51Å; P31-F68 HydrophobicContact CG-CZ 3.92Å; I34-F68 HydrophobicContact CD1-CB 4.06Å; I34-F68 HydrophobicContact CD1-CD2 4.42Å; I34-F68 HydrophobicContact CD1-CG 4.42Å; I34-F68 HydrophobicContact CG1-CB 4.06Å; I34-F68 HydrophobicContact CG1-CD2 3.94Å; I34-F68 HydrophobicContact CG1-CG 3.94Å; I34-F68 HydrophobicContact CG2-CB 4.09Å; I34-F68 HydrophobicContact CG2-CG 4.34Å; T64-F68 HydrophobicContact CG2-CD2 4.18Å; T64-F68 HydrophobicContact CG2-CE2 4.48Å; T64-F68 WeakPolarHBondContact O-CD2 3.48Å; T64-F68 PolarHBondContact O-N 3.41Å; T64-F68 VanDerWaalsContact O-N 3.1Å; L65-F68 CarbonylContact O-C 3.59Å; L65-F68 PolarHBondContact O-N 2.88Å; R66-F68 VanDerWaalsContact C-N 3.25Å; R66-F68 PolarHBondContact O-N 2.82Å; F68-I70 HydrophobicContact CB-CG1 4.38Å; F68-I70 PolarHBondContact O-N 3.26Å
69	K	96.7	Very high	97	Very high	186 Å²	186	72.7 Å²	72.7	81%	0.809	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	33.5	176.8	-54	-178.3	-178.4	178.6	0	113.9	L65 R66 K67 S71	L65-K69 PolarHBondContact O-N 3.05Å; L65-K69 VanDerWaalsContact O-N 3.1Å; R66-K69 PolarHBondContact O-N 2.87Å; R66-K69 VanDerWaalsContact O-N 3.08Å; K67-K69 VanDerWaalsContact C-N 3.35Å; K69-S71 PolarHBondContact O-N 2.62Å
70	I	96.9	Very high	97	Very high	30 Å²	30	68.3 Å²	68.3	15%	0.154	33%	0.325	C	S	.	.			trans	-77.7	104.5	171.4	-57.9	-56.8	0	0	0	108	I34 E38 I41 L65 F68 I75	I34-I70 HydrophobicContact CD1-CG1 4.01Å; I34-I70 HydrophobicContact CG2-CD1 4.17Å; I34-I70 HydrophobicContact CG2-CG1 4.3Å; E38-I70 HydrophobicContact CG-CD1 4.48Å; I41-I70 HydrophobicContact CD1-CD1 4.15Å; I41-I70 HydrophobicContact CD1-CG2 3.81Å; L65-I70 HydrophobicContact CB-CB 4.24Å; L65-I70 HydrophobicContact CD2-CB 4.1Å; L65-I70 HydrophobicContact CD2-CG1 4.35Å; L65-I70 HydrophobicContact CD2-CG2 4.06Å; L65-I70 PolarHBondContact O-N 2.78Å; F68-I70 HydrophobicContact CB-CG1 4.38Å; F68-I70 PolarHBondContact O-N 3.26Å; I70-I75 HydrophobicContact CG2-CD1 3.29Å
71	S	92.9	Very high	96.8	Very high	114 Å²	114	66.6 Å²	66.6	80%	0.797	32%	0.324	S	S	*	.			trans	-122.7	22.1	-175.2	66.8	0	0	0	0	113.7	K69 E73	K69-S71 PolarHBondContact O-N 2.62Å; S71-E73 PolarHBondContact O-N 3.11Å
72	D	96.2	Very high	96.4	Very high	40 Å²	40	71.9 Å²	71.9	21%	0.214	36%	0.361	C	S	.	.			trans	-68.5	123.7	176.8	-168.5	-52.9	0	0	0	110.4	I41 R74 I75	I41-D72 HydrophobicContact CG1-CB 4.38Å; D72-R74 PolarHBondContact O-N 2.86Å; D72-R74 WeakPolarHBondContact OD1-CB 3.42Å; D72-R74 VanDerWaalsContact OD1-CG 3.3Å; D72-R74 WeakPolarHBondContact OD1-CG 3.31Å; D72-R74 IonicContact OD1-CZ 2.68Å; D72-R74 PolarHBondContact OD1-N 3.3Å; D72-R74 IonicContact OD1-NE 2.69Å; D72-R74 PolarHBondContact OD1-NE 3.43Å; D72-R74 IonicContact OD1-NH2 3.84Å; D72-R74 IonicContact OD2-CZ 3.1Å; D72-R74 IonicContact OD2-NE 3.53Å; D72-R74 PolarHBondContact OD2-NE 2.86Å; D72-R74 IonicContact OD2-NH2 3.56Å; D72-R74 PolarHBondContact OD2-NH2 3.05Å; D72-I75 HydrophobicContact CB-CD1 3.79Å; D72-I75 HydrophobicContact CB-CG1 4.09Å; D72-I75 WeakPolarHBondContact O-CB 3.31Å; D72-I75 PolarHBondContact O-N 2.94Å; D72-I75 VanDerWaalsContact O-N 3.12Å
73	E	96.5	Very high	96	Very high	177 Å²	177	71.1 Å²	71.1	83%	0.827	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-14.4	-174.9	66.1	-176.7	171.9	0	0	114.2	S71 I75	S71-E73 PolarHBondContact O-N 3.11Å; E73-I75 VanDerWaalsContact C-N 3.26Å
74	R	97.6	Very high	95.7	Very high	33 Å²	33	70.4 Å²	70.4	13%	0.125	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-15.2	175.9	-57	174.3	-70.4	166.3	-0.3	112	I41 I43 F46 K48 I49 D72	I41-R74 PolarHBondContact O-NH2 2.8Å; I43-R74 PolarHBondContact O-NH1 3.05Å; F46-R74 WeakPolarHBondContact O-CD 3.17Å; F46-R74 PolarHBondContact O-NH1 3.14Å; K48-R74 CarbonylContact C-O 3.55Å; K48-R74 WeakPolarHBondContact CA-O 3.5Å; I49-R74 PolarHBondContact N-O 2.83Å; D72-R74 PolarHBondContact O-N 2.86Å; D72-R74 WeakPolarHBondContact OD1-CB 3.42Å; D72-R74 VanDerWaalsContact OD1-CG 3.3Å; D72-R74 WeakPolarHBondContact OD1-CG 3.31Å; D72-R74 IonicContact OD1-CZ 2.68Å; D72-R74 PolarHBondContact OD1-N 3.3Å; D72-R74 IonicContact OD1-NE 2.69Å; D72-R74 PolarHBondContact OD1-NE 3.43Å; D72-R74 IonicContact OD1-NH2 3.84Å; D72-R74 IonicContact OD2-CZ 3.1Å; D72-R74 IonicContact OD2-NE 3.53Å; D72-R74 PolarHBondContact OD2-NE 2.86Å; D72-R74 IonicContact OD2-NH2 3.56Å; D72-R74 PolarHBondContact OD2-NH2 3.05Å
75	I	98.2	Very high	95.4	Very high	27 Å²	27	70 Å²	70	14%	0.138	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	126.9	-173.7	-64.8	171.7	0	0	0	111.5	I41 I49 I51 L65 I70 D72 E73	I41-I75 HydrophobicContact CD1-CD1 3.75Å; I41-I75 HydrophobicContact CG1-CD1 3.93Å; I49-I75 HydrophobicContact CB-CG1 4.04Å; I49-I75 HydrophobicContact CD1-CG1 4.41Å; I49-I75 HydrophobicContact CG2-CG1 4.34Å; I49-I75 VanDerWaalsContact O-CA 3.29Å; I49-I75 WeakPolarHBondContact O-CA 3.15Å; I51-I75 HydrophobicContact CD1-CG2 3.75Å; I51-I75 HydrophobicContact CG1-CG2 4.4Å; L65-I75 HydrophobicContact CD1-CG2 4.02Å; I70-I75 HydrophobicContact CG2-CD1 3.29Å; D72-I75 HydrophobicContact CB-CD1 3.79Å; D72-I75 HydrophobicContact CB-CG1 4.09Å; D72-I75 WeakPolarHBondContact O-CB 3.31Å; D72-I75 PolarHBondContact O-N 2.94Å; D72-I75 VanDerWaalsContact O-N 3.12Å; E73-I75 VanDerWaalsContact C-N 3.26Å
76	E	98.1	Very high	95.1	Very high	45 Å²	45	71.4 Å²	71.4	21%	0.21	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	140.2	176.7	-64.1	-179.1	-174.3	0	0	110.4	K48 I49 I50 I51 H94	K48-E76 HydrophobicContact CD-CG 4.49Å; K48-E76 WeakPolarHBondContact CD-OE1 3.23Å; K48-E76 VanDerWaalsContact CE-OE1 3.25Å; K48-E76 WeakPolarHBondContact CE-OE1 3.37Å; K48-E76 IonicContact NZ-OE1 2.74Å; K48-E76 PolarHBondContact NZ-OE1 3.13Å; I49-E76 PolarHBondContact O-N 2.9Å; I50-E76 CarbonylContact C-O 3.49Å; I50-E76 WeakPolarHBondContact CA-O 3.44Å; I51-E76 PolarHBondContact N-O 2.83Å; E76-H94 IonicContact OE2-CD2 3.13Å; E76-H94 IonicContact OE2-CE1 3.91Å; E76-H94 IonicContact OE2-NE2 3.84Å; E76-H94 PolarHBondContact OE2-NE2 3.31Å
77	V	98	Very high	95	Very high	22 Å²	22	63.5 Å²	63.5	13%	0.133	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	116.6	178.4	-177.9	0	0	0	0	109	I51 T53 T61 K62 L65	I51-V77 HydrophobicContact CB-CG2 4.39Å; I51-V77 HydrophobicContact CD1-CG2 4.27Å; I51-V77 WeakPolarHBondContact O-CA 3.34Å; T53-V77 HydrophobicContact CG2-CG1 3.99Å; T61-V77 HydrophobicContact CG2-CG1 3.88Å; T61-V77 HydrophobicContact CG2-CG2 4.01Å; K62-V77 HydrophobicContact CG-CB 4.21Å; K62-V77 HydrophobicContact CG-CG1 4.42Å; K62-V77 HydrophobicContact CG-CG2 4.11Å; L65-V77 HydrophobicContact CD1-CG2 3.75Å
78	I	98	Very high	95	Very high	18 Å²	18	56 Å²	56	9%	0.092	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	165.1	-179.3	72.1	166.5	0	0	0	111.5	I50 I51 A52 T53 I91 H94	I50-I78 HydrophobicContact CG2-CD1 3.69Å; I50-I78 HydrophobicContact CG2-CG1 3.74Å; I50-I78 HydrophobicContact CG2-CG2 4.09Å; I51-I78 PolarHBondContact O-N 2.73Å; A52-I78 HydrophobicContact CB-CD1 4.36Å; A52-I78 HydrophobicContact CB-CG1 3.95Å; T53-I78 PolarHBondContact N-O 2.83Å; T53-I78 VanDerWaalsContact N-O 3.12Å; I78-I91 HydrophobicContact CD1-CB 4.38Å; I78-I91 HydrophobicContact CD1-CG1 3.82Å; I78-H94 HydrophobicContact CD1-CB 4.09Å
79	Q	97.4	Very high	94.9	Very high	107 Å²	107	54.1 Å²	54.1	50%	0.5	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	127.2	170.5	-171.5	-175.4	-9.6	0	0	110	T53 Q55 M58	T53-Q79 WeakPolarHBondContact O-CA 3.25Å; Q55-Q79 HydrophobicContact CB-CG 4.13Å; Q55-Q79 VanDerWaalsContact OE1-OE1 3.06Å; M58-Q79 HydrophobicContact SD-CB 4.09Å
80	G	95.4	Very high	95	Very high	7 Å²	7	47.1 Å²	47.1	7%	0.072	26%	0.26	C	S	.	.			trans	-74.8	172.3	170.5	0	0	0	0	0	113.1	T53	T53-G80 PolarHBondContact O-N 2.88Å
81	G	92.7	Very high	95	Very high	24 Å²	24	45.7 Å²	45.7	25%	0.247	25%	0.253	C	S	.	.			trans	-87	-174.6	178.1	0	0	0	0	0	113.9	D83 D86 T87	G81-D83 VanDerWaalsContact C-N 3.31Å; G81-D86 WeakPolarHBondContact CA-OD2 3.32Å; G81-T87 PolarHBondContact N-OG1 2.71Å
82	S	89	Confident	95.3	Very high	111 Å²	111	40.4 Å²	40.4	78%	0.776	22%	0.216	S	C	*	.	S	Bend	trans	-69	-30.2	173.9	51.1	0	0	0	0	113.2	D86	S82-D86 PolarHBondContact N-OD2 3.39Å
83	D	88.8	Confident	95.4	Very high	80 Å²	80	44.1 Å²	44.1	43%	0.428	23%	0.23	S	C	.	.	S	Bend	trans	-136.7	-176	178.8	63.9	61.6	0	0	0	111.4	G81 N85 D86 T87	G81-D83 VanDerWaalsContact C-N 3.31Å; D83-N85 WeakPolarHBondContact OD1-CA 3.4Å; D83-N85 PolarHBondContact OD1-N 3.08Å; D83-D86 PolarHBondContact OD1-N 3.39Å; D83-T87 VanDerWaalsContact O-CB 3.32Å; D83-T87 WeakPolarHBondContact O-CB 3.38Å; D83-T87 PolarHBondContact O-N 2.94Å; D83-T87 PolarHBondContact O-OG1 3.25Å
84	R	89.7	Confident	95.4	Very high	50 Å²	50	37.8 Å²	37.8	19%	0.189	20%	0.2	C	C	.	.	H	α-helix	trans	-63.5	-42.6	-177.3	-172.2	179	-176.5	-100.2	2.6	112.3	L7 T87 I88 A195	L7-R84 HydrophobicContact CD1-CG 3.92Å; R84-T87 WeakPolarHBondContact O-CB 3.12Å; R84-T87 PolarHBondContact O-N 2.89Å; R84-I88 HydrophobicContact CG-CD1 4.37Å; R84-I88 WeakPolarHBondContact O-CG1 3.31Å; R84-I88 PolarHBondContact O-N 3.01Å; R84-I88 VanDerWaalsContact O-N 3.12Å; R84-A195 VanDerWaalsContact NH1-CB 3.34Å
85	N	91.6	Very high	95.5	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-77.1	-40.3	-174.9	-62.3	-40.5	0	0	0	110.8	D83 T87 I88 M89 Y181 L192 I198	D83-N85 WeakPolarHBondContact OD1-CA 3.4Å; D83-N85 PolarHBondContact OD1-N 3.08Å; N85-T87 VanDerWaalsContact C-N 3.25Å; N85-T87 PolarHBondContact O-N 2.88Å; N85-I88 PolarHBondContact O-N 3.36Å; N85-I88 VanDerWaalsContact O-N 3.11Å; N85-M89 WeakPolarHBondContact O-CG 3.42Å; N85-M89 PolarHBondContact O-N 2.98Å; N85-Y181 HydrophobicContact CB-CE2 4.36Å; N85-L192 WeakPolarHBondContact ND2-CB 3.4Å; N85-L192 PolarHBondContact ND2-O 3.37Å; N85-I198 HydrophobicContact CB-CD1 4.31Å
86	D	92.3	Very high	95.4	Very high	43 Å²	43	39.3 Å²	39.3	23%	0.23	21%	0.208	C	C	.	.	H	α-helix	trans	-60.4	-38.8	172.4	-172	42.2	0	0	0	111.1	G81 S82 D83 I88 M89 N90	G81-D86 WeakPolarHBondContact CA-OD2 3.32Å; S82-D86 PolarHBondContact N-OD2 3.39Å; D83-D86 PolarHBondContact OD1-N 3.39Å; D86-I88 PolarHBondContact O-N 3.44Å; D86-M89 PolarHBondContact O-N 3.3Å; D86-N90 WeakPolarHBondContact O-CB 3.43Å; D86-N90 VanDerWaalsContact O-CG 3.26Å; D86-N90 PolarHBondContact O-N 2.84Å; D86-N90 PolarHBondContact O-ND2 3.29Å
87	T	95.3	Very high	95.4	Very high	7 Å²	7	41.6 Å²	41.6	4%	0.043	23%	0.229	C	C	.	.	H	α-helix	trans	-58.9	-46.4	172	-61.4	0	0	0	0	112.2	L7 A52 G81 D83 R84 N85 N90 I91	L7-T87 HydrophobicContact CD2-CG2 3.78Å; A52-T87 HydrophobicContact CB-CG2 3.38Å; G81-T87 PolarHBondContact N-OG1 2.71Å; D83-T87 VanDerWaalsContact O-CB 3.32Å; D83-T87 WeakPolarHBondContact O-CB 3.38Å; D83-T87 PolarHBondContact O-N 2.94Å; D83-T87 PolarHBondContact O-OG1 3.25Å; R84-T87 WeakPolarHBondContact O-CB 3.12Å; R84-T87 PolarHBondContact O-N 2.89Å; N85-T87 VanDerWaalsContact C-N 3.25Å; N85-T87 PolarHBondContact O-N 2.88Å; T87-N90 PolarHBondContact O-N 3.47Å; T87-I91 WeakPolarHBondContact O-CG1 3.49Å; T87-I91 PolarHBondContact O-N 2.99Å; T87-I91 VanDerWaalsContact O-N 3.12Å
88	I	96.5	Very high	95.3	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-42.3	177.8	-64.9	164.7	0	0	0	110.5	L7 R84 N85 D86 N90 I91 V92 T109 L177 A195	L7-I88 HydrophobicContact CD1-CD1 4.09Å; L7-I88 HydrophobicContact CD1-CG1 4.04Å; L7-I88 HydrophobicContact CD2-CG1 3.82Å; R84-I88 HydrophobicContact CG-CD1 4.37Å; R84-I88 WeakPolarHBondContact O-CG1 3.31Å; R84-I88 PolarHBondContact O-N 3.01Å; R84-I88 VanDerWaalsContact O-N 3.12Å; N85-I88 PolarHBondContact O-N 3.36Å; N85-I88 VanDerWaalsContact O-N 3.11Å; D86-I88 PolarHBondContact O-N 3.44Å; I88-N90 VanDerWaalsContact C-N 3.3Å; I88-N90 PolarHBondContact O-N 3.38Å; I88-I91 WeakPolarHBondContact O-CB 3.33Å; I88-I91 PolarHBondContact O-N 2.86Å; I88-I91 VanDerWaalsContact O-N 3.17Å; I88-V92 WeakPolarHBondContact O-CG2 3.39Å; I88-V92 PolarHBondContact O-N 3.41Å; I88-T109 HydrophobicContact CD1-CG2 4.32Å; I88-T109 HydrophobicContact CG1-CG2 4.12Å; I88-T109 HydrophobicContact CG2-CG2 4.02Å; I88-L177 HydrophobicContact CG2-CD2 3.77Å; I88-A195 HydrophobicContact CD1-CB 3.57Å
89	M	96.1	Very high	95.1	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.059	25%	0.253	C	S	.	.	H	α-helix	trans	-64.4	-34.4	177.6	-69.4	-57.3	100.6	0	0	112.2	N85 D86 V92 K93 L177 Y181	N85-M89 WeakPolarHBondContact O-CG 3.42Å; N85-M89 PolarHBondContact O-N 2.98Å; D86-M89 PolarHBondContact O-N 3.3Å; M89-V92 HydrophobicContact CE-CG2 4.4Å; M89-V92 PolarHBondContact O-N 3.47Å; M89-K93 WeakPolarHBondContact O-CB 3.27Å; M89-K93 VanDerWaalsContact O-CG 3.27Å; M89-K93 WeakPolarHBondContact O-CG 3.37Å; M89-K93 PolarHBondContact O-N 2.98Å; M89-L177 HydrophobicContact CE-CD1 4.3Å; M89-L177 HydrophobicContact CE-CD2 3.61Å; M89-L177 HydrophobicContact CE-CG 3.66Å; M89-Y181 HydrophobicContact CG-CD1 3.88Å; M89-Y181 HydrophobicContact CG-CE1 3.82Å; M89-Y181 HydrophobicContact CG-CE2 4.48Å; M89-Y181 HydrophobicContact CG-CG 4.23Å; M89-Y181 HydrophobicContact SD-CD1 3.78Å; M89-Y181 HydrophobicContact SD-CE1 4.34Å; M89-Y181 HydrophobicContact SD-CG 3.9Å
90	N	97.2	Very high	95	Very high	39 Å²	39	42 Å²	42	21%	0.209	24%	0.244	C	C	.	.	H	α-helix	trans	-67.8	-37.1	173.5	-71.5	-17	0	0	0	112.2	D86 T87 I88 H94	D86-N90 WeakPolarHBondContact O-CB 3.43Å; D86-N90 VanDerWaalsContact O-CG 3.26Å; D86-N90 PolarHBondContact O-N 2.84Å; D86-N90 PolarHBondContact O-ND2 3.29Å; T87-N90 PolarHBondContact O-N 3.47Å; I88-N90 VanDerWaalsContact C-N 3.3Å; I88-N90 PolarHBondContact O-N 3.38Å; N90-H94 WeakPolarHBondContact O-CB 3.37Å; N90-H94 PolarHBondContact O-N 3.46Å
91	I	98.3	Very high	95	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62	-45.5	171.4	-63.8	167.4	0	0	0	110.3	L7 I50 A52 I78 T87 I88 H94 I95 I107	L7-I91 HydrophobicContact CD2-CD1 3.77Å; I50-I91 HydrophobicContact CB-CG2 4Å; I50-I91 HydrophobicContact CD1-CG2 3.76Å; I50-I91 HydrophobicContact CG1-CG2 4.5Å; I50-I91 HydrophobicContact CG2-CB 4.47Å; I50-I91 HydrophobicContact CG2-CG1 4.01Å; I50-I91 HydrophobicContact CG2-CG2 3.99Å; A52-I91 HydrophobicContact CB-CD1 3.83Å; A52-I91 HydrophobicContact CB-CG1 3.85Å; I78-I91 HydrophobicContact CD1-CB 4.38Å; I78-I91 HydrophobicContact CD1-CG1 3.82Å; T87-I91 WeakPolarHBondContact O-CG1 3.49Å; T87-I91 PolarHBondContact O-N 2.99Å; T87-I91 VanDerWaalsContact O-N 3.12Å; I88-I91 WeakPolarHBondContact O-CB 3.33Å; I88-I91 PolarHBondContact O-N 2.86Å; I88-I91 VanDerWaalsContact O-N 3.17Å; I91-H94 WeakPolarHBondContact O-CB 3.27Å; I91-H94 PolarHBondContact O-N 3.44Å; I91-I95 HydrophobicContact CG2-CD1 3.96Å; I91-I95 WeakPolarHBondContact O-CG1 3.27Å; I91-I95 PolarHBondContact O-N 2.96Å; I91-I107 HydrophobicContact CB-CD1 4.26Å; I91-I107 HydrophobicContact CG2-CD1 3.57Å
92	V	97.9	Very high	95.2	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.012	26%	0.259	C	S	.	.	H	α-helix	trans	-62.4	-46	178.8	168.9	0	0	0	0	111.9	I88 M89 H94 I95 E96 I101 I107 I174 L177 K178	I88-V92 WeakPolarHBondContact O-CG2 3.39Å; I88-V92 PolarHBondContact O-N 3.41Å; M89-V92 HydrophobicContact CE-CG2 4.4Å; M89-V92 PolarHBondContact O-N 3.47Å; V92-H94 VanDerWaalsContact C-N 3.27Å; V92-H94 PolarHBondContact O-N 3.45Å; V92-I95 PolarHBondContact O-N 3.34Å; V92-E96 WeakPolarHBondContact O-CB 3.31Å; V92-E96 PolarHBondContact O-N 3.34Å; V92-I101 HydrophobicContact CG1-CD1 4.24Å; V92-I107 HydrophobicContact CG2-CD1 4.27Å; V92-I174 HydrophobicContact CG1-CG2 3.64Å; V92-I174 HydrophobicContact CG2-CG2 4.25Å; V92-L177 HydrophobicContact CG2-CD2 4.43Å; V92-K178 HydrophobicContact CG1-CD 3.52Å; V92-K178 HydrophobicContact CG1-CG 3.54Å
93	K	97.8	Very high	95.5	Very high	118 Å²	118	46.8 Å²	46.8	51%	0.513	25%	0.253	S	S	.	.	H	α-helix	trans	-60.2	-39	175.1	-72.8	169.2	-172.4	167.2	0	111.8	M89 E96 S97	M89-K93 WeakPolarHBondContact O-CB 3.27Å; M89-K93 VanDerWaalsContact O-CG 3.27Å; M89-K93 WeakPolarHBondContact O-CG 3.37Å; M89-K93 PolarHBondContact O-N 2.98Å; K93-E96 PolarHBondContact O-N 2.88Å; K93-S97 WeakPolarHBondContact O-CB 3.4Å; K93-S97 PolarHBondContact O-N 3.4Å; K93-S97 PolarHBondContact O-OG 3.24Å
94	H	98.2	Very high	95.8	Very high	45 Å²	45	48.7 Å²	48.7	21%	0.208	26%	0.263	C	S	.	.	H	α-helix	trans	-61.9	-51.2	176.6	-177.4	80.2	0	0	0	110.9	E76 I78 N90 I91 V92 E96 S97 T98	E76-H94 IonicContact OE2-CD2 3.13Å; E76-H94 IonicContact OE2-CE1 3.91Å; E76-H94 IonicContact OE2-NE2 3.84Å; E76-H94 PolarHBondContact OE2-NE2 3.31Å; I78-H94 HydrophobicContact CD1-CB 4.09Å; N90-H94 WeakPolarHBondContact O-CB 3.37Å; N90-H94 PolarHBondContact O-N 3.46Å; I91-H94 WeakPolarHBondContact O-CB 3.27Å; I91-H94 PolarHBondContact O-N 3.44Å; V92-H94 VanDerWaalsContact C-N 3.27Å; V92-H94 PolarHBondContact O-N 3.45Å; H94-E96 VanDerWaalsContact C-N 3.33Å; H94-E96 PolarHBondContact O-N 3.01Å; H94-S97 PolarHBondContact O-N 3.17Å; H94-S97 VanDerWaalsContact O-N 3.11Å; H94-S97 PolarHBondContact O-OG 2.95Å; H94-T98 PolarHBondContact O-N 2.98Å; H94-T98 PolarHBondContact O-OG1 3.11Å; H94-T98 VanDerWaalsContact O-OG1 3.1Å
95	I	98.1	Very high	96.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-54.5	-48.7	175.1	-66.8	162.4	0	0	0	111.2	Y3 I50 I91 V92 S97 T98 N99 G100 I101 I107 I174	Y3-I95 HydrophobicContact CD1-CD1 3.92Å; Y3-I95 HydrophobicContact CD1-CG1 3.89Å; Y3-I95 HydrophobicContact CD1-CG2 4.15Å; Y3-I95 HydrophobicContact CD2-CD1 4.02Å; Y3-I95 HydrophobicContact CD2-CG2 4.09Å; Y3-I95 HydrophobicContact CE1-CG1 4.21Å; Y3-I95 HydrophobicContact CE1-CG2 3.73Å; Y3-I95 HydrophobicContact CE2-CG2 3.64Å; Y3-I95 HydrophobicContact CG-CD1 3.6Å; Y3-I95 HydrophobicContact CG-CG1 4.1Å; Y3-I95 HydrophobicContact CG-CG2 4.32Å; Y3-I95 VanDerWaalsContact CZ-CG2 3.44Å; I50-I95 HydrophobicContact CD1-CD1 3.88Å; I50-I95 HydrophobicContact CD1-CG1 3.41Å; I50-I95 VanDerWaalsContact CD1-CG1 3.41Å; I91-I95 HydrophobicContact CG2-CD1 3.96Å; I91-I95 WeakPolarHBondContact O-CG1 3.27Å; I91-I95 PolarHBondContact O-N 2.96Å; V92-I95 PolarHBondContact O-N 3.34Å; I95-S97 VanDerWaalsContact C-N 3.26Å; I95-S97 PolarHBondContact O-N 3.31Å; I95-T98 PolarHBondContact O-N 2.88Å; I95-T98 PolarHBondContact O-OG1 3.2Å; I95-N99 PolarHBondContact O-N 3.12Å; I95-G100 PolarHBondContact O-N 3.12Å; I95-I101 HydrophobicContact CG2-CG1 4.29Å; I95-I107 HydrophobicContact CD1-CD1 4.3Å; I95-I174 HydrophobicContact CD1-CD1 4.08Å; I95-I174 HydrophobicContact CG2-CD1 4.37Å
96	E	97.3	Very high	96.5	Very high	91 Å²	91	46.3 Å²	46.3	43%	0.425	25%	0.254	S	S	.	.	H	α-helix	trans	-56.6	-41.9	178.9	-171.5	165.2	-139.7	0	0	111.9	V92 K93 H94 G100 I101 K178	V92-E96 WeakPolarHBondContact O-CB 3.31Å; V92-E96 PolarHBondContact O-N 3.34Å; K93-E96 PolarHBondContact O-N 2.88Å; H94-E96 VanDerWaalsContact C-N 3.33Å; H94-E96 PolarHBondContact O-N 3.01Å; E96-G100 WeakPolarHBondContact O-CA 3.39Å; E96-G100 PolarHBondContact O-N 2.97Å; E96-I101 HydrophobicContact CB-CD1 3.59Å; E96-I101 HydrophobicContact CB-CG1 4.13Å; E96-I101 HydrophobicContact CG-CD1 3.91Å; E96-I101 HydrophobicContact CG-CG1 4.44Å; E96-K178 IonicContact OE1-NZ 3.99Å; E96-K178 PolarHBondContact OE1-NZ 3.11Å; E96-K178 IonicContact OE2-NZ 2.77Å; E96-K178 PolarHBondContact OE2-NZ 3.24Å
97	S	97.2	Very high	96.8	Very high	93 Å²	93	44.3 Å²	44.3	65%	0.65	24%	0.243	S	C	*	.	H	α-helix	trans	-73.8	-29.3	-178.8	74.4	0	0	0	0	114.2	K93 H94 I95	K93-S97 WeakPolarHBondContact O-CB 3.4Å; K93-S97 PolarHBondContact O-N 3.4Å; K93-S97 PolarHBondContact O-OG 3.24Å; H94-S97 PolarHBondContact O-N 3.17Å; H94-S97 VanDerWaalsContact O-N 3.11Å; H94-S97 PolarHBondContact O-OG 2.95Å; I95-S97 VanDerWaalsContact C-N 3.26Å; I95-S97 PolarHBondContact O-N 3.31Å
98	T	96.2	Very high	97	Very high	69 Å²	69	44 Å²	44	42%	0.423	24%	0.241	S	C	.	.	H	α-helix	trans	-98.6	-31.3	-174.3	56.7	0	0	0	0	113.8	H94 I95	H94-T98 PolarHBondContact O-N 2.98Å; H94-T98 PolarHBondContact O-OG1 3.11Å; H94-T98 VanDerWaalsContact O-OG1 3.1Å; I95-T98 PolarHBondContact O-N 2.88Å; I95-T98 PolarHBondContact O-OG1 3.2Å
99	N	94.2	Very high	97	Very high	56 Å²	56	43.9 Å²	43.9	30%	0.299	24%	0.241	S	C	.	.	H	α-helix	trans	-128.6	-15.2	-171	-68.3	82.1	0	0	0	113.7	I95	I95-N99 PolarHBondContact O-N 3.12Å
100	G	95.3	Very high	97.1	Very high	30 Å²	30	43.3 Å²	43.3	31%	0.309	24%	0.238	S	C	.	.			trans	73.9	174.4	-162.2	0	0	0	0	0	111.9	I95 E96	I95-G100 PolarHBondContact O-N 3.12Å; E96-G100 WeakPolarHBondContact O-CA 3.39Å; E96-G100 PolarHBondContact O-N 2.97Å
101	I	95.6	Very high	97.1	Very high	33 Å²	33	42 Å²	42	17%	0.169	23%	0.231	C	C	.	.			trans	-129.2	128.9	175.6	-65.5	162.9	0	0	0	108.6	V92 I95 E96 D105 I174 N175 K178	V92-I101 HydrophobicContact CG1-CD1 4.24Å; I95-I101 HydrophobicContact CG2-CG1 4.29Å; E96-I101 HydrophobicContact CB-CD1 3.59Å; E96-I101 HydrophobicContact CB-CG1 4.13Å; E96-I101 HydrophobicContact CG-CD1 3.91Å; E96-I101 HydrophobicContact CG-CG1 4.44Å; I101-D105 WeakPolarHBondContact CA-OD2 3.44Å; I101-D105 HydrophobicContact CG2-CB 4.25Å; I101-I174 HydrophobicContact CD1-CG2 3.56Å; I101-I174 HydrophobicContact CG1-CG2 4.08Å; I101-I174 HydrophobicContact CG2-CB 4.14Å; I101-I174 HydrophobicContact CG2-CG2 3.96Å; I101-N175 VanDerWaalsContact CG2-OD1 3.27Å; I101-N175 WeakPolarHBondContact CG2-OD1 3.42Å; I101-K178 HydrophobicContact CD1-CD 3.89Å
102	N	96.5	Very high	97.1	Very high	89 Å²	89	42.1 Å²	42.1	48%	0.476	23%	0.232	S	C	.	.			trans	-102.3	163.2	170.7	-52.4	-74.8	0	0	0	110.8	D104 D105	N102-D104 PolarHBondContact O-N 3.41Å; N102-D104 VanDerWaalsContact O-N 3.14Å; N102-D105 PolarHBondContact N-OD2 3.42Å; N102-D105 PolarHBondContact ND2-OD2 2.82Å; N102-D105 WeakPolarHBondContact O-CB 3.38Å; N102-D105 PolarHBondContact O-N 2.69Å
103	D	95	Very high	97	Very high	121 Å²	121	42.3 Å²	42.3	65%	0.647	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-26.9	-175.7	-69.4	-22.1	0	0	0	114.1	N173 N175	D103-N173 PolarHBondContact O-ND2 2.66Å; D103-N175 PolarHBondContact OD1-ND2 2.84Å; D103-N175 VanDerWaalsContact OD1-ND2 3.13Å
104	D	94.9	Very high	96.9	Very high	121 Å²	121	37.7 Å²	37.7	65%	0.647	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100	12.4	179.9	-60.1	-39.4	0	0	0	113.3	N102	N102-D104 PolarHBondContact O-N 3.41Å; N102-D104 VanDerWaalsContact O-N 3.14Å
105	D	98.1	Very high	96.8	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.011	20%	0.204	C	C	.	.			trans	-74.7	130.1	-179.9	-71	-9.3	0	0	0	111.5	M1 Y3 I101 N102 N173 I174	M1-D105 WeakPolarHBondContact CA-OD1 3.34Å; M1-D105 WeakPolarHBondContact CB-OD1 3.43Å; M1-D105 PolarHBondContact N-OD1 3.13Å; M1-D105 WeakPolarHBondContact O-CA 3.38Å; Y3-D105 HydrophobicContact CE2-CB 4.19Å; I101-D105 WeakPolarHBondContact CA-OD2 3.44Å; I101-D105 HydrophobicContact CG2-CB 4.25Å; N102-D105 PolarHBondContact N-OD2 3.42Å; N102-D105 PolarHBondContact ND2-OD2 2.82Å; N102-D105 WeakPolarHBondContact O-CB 3.38Å; N102-D105 PolarHBondContact O-N 2.69Å; D105-N173 WeakPolarHBondContact O-CA 3.19Å; D105-I174 HydrophobicContact CB-CD1 4.07Å; D105-I174 HydrophobicContact CB-CG1 4.48Å; D105-I174 PolarHBondContact O-N 2.73Å
106	V	98.4	Very high	96.8	Very high	1 Å²	1	36 Å²	36	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	137.1	-176.8	170.6	0	0	0	0	110.4	M1 K2 Y3 V108 A129 L130 F172	M1-V106 PolarHBondContact O-N 3.48Å; K2-V106 CarbonylContact C-O 3.54Å; K2-V106 WeakPolarHBondContact CA-O 3.24Å; Y3-V106 PolarHBondContact N-O 2.58Å; V106-V108 HydrophobicContact CG1-CG2 4.36Å; V106-A129 HydrophobicContact CG1-CB 3.57Å; V106-A129 HydrophobicContact CG2-CB 4.12Å; V106-L130 HydrophobicContact CG2-CD2 3.75Å; V106-L130 HydrophobicContact CG2-CG 4.12Å; V106-F172 CarbonylContact C-O 3.45Å; V106-F172 VanDerWaalsContact CA-O 3.31Å; V106-F172 WeakPolarHBondContact CA-O 3.31Å
107	I	98.6	Very high	96.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.5	167.5	-172.2	173.9	0	0	0	110.5	Y3 I91 V92 I95 T109 S171 F172 I174 L177	Y3-I107 CarbonylContact O-C 3.53Å; Y3-I107 WeakPolarHBondContact O-CA 2.95Å; I91-I107 HydrophobicContact CB-CD1 4.26Å; I91-I107 HydrophobicContact CG2-CD1 3.57Å; V92-I107 HydrophobicContact CG2-CD1 4.27Å; I95-I107 HydrophobicContact CD1-CD1 4.3Å; I107-T109 HydrophobicContact CD1-CG2 3.91Å; I107-T109 HydrophobicContact CG1-CG2 3.89Å; I107-T109 HydrophobicContact CG2-CG2 4.45Å; I107-S171 CarbonylContact O-C 3.58Å; I107-S171 VanDerWaalsContact O-CA 3.27Å; I107-S171 WeakPolarHBondContact O-CA 3.48Å; I107-F172 HydrophobicContact CG2-CB 4.21Å; I107-F172 HydrophobicContact CG2-CD2 4.47Å; I107-F172 PolarHBondContact N-O 2.77Å; I107-F172 PolarHBondContact O-N 2.97Å; I107-I174 HydrophobicContact CB-CD1 4.15Å; I107-I174 HydrophobicContact CB-CG1 3.92Å; I107-I174 HydrophobicContact CG2-CG1 3.86Å; I107-L177 HydrophobicContact CG2-CD2 4.36Å
108	V	98.6	Very high	96.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	103.3	172.6	179.9	0	0	0	0	108	Y3 A4 G5 F40 F46 V106 I126 P169	Y3-V108 PolarHBondContact O-N 3.25Å; A4-V108 CarbonylContact C-O 3.58Å; A4-V108 WeakPolarHBondContact CA-O 3.32Å; G5-V108 PolarHBondContact N-O 3.02Å; F40-V108 HydrophobicContact CE1-CG1 4.13Å; F46-V108 HydrophobicContact CE1-CB 4.01Å; F46-V108 HydrophobicContact CE1-CG2 3.87Å; F46-V108 HydrophobicContact CZ-CB 4.14Å; F46-V108 HydrophobicContact CZ-CG1 4.47Å; F46-V108 HydrophobicContact CZ-CG2 4.13Å; V106-V108 HydrophobicContact CG1-CG2 4.36Å; V108-I126 HydrophobicContact CG2-CG1 3.75Å; V108-P169 HydrophobicContact CG1-CB 3.5Å; V108-P169 HydrophobicContact CG1-CG 4.08Å
109	T	98.3	Very high	96.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	135.6	-177.8	68.2	0	0	0	0	111.2	G5 I88 I107 P169 Q170	G5-T109 CarbonylContact O-C 3.57Å; G5-T109 VanDerWaalsContact O-CA 3.28Å; G5-T109 WeakPolarHBondContact O-CA 3.46Å; I88-T109 HydrophobicContact CD1-CG2 4.32Å; I88-T109 HydrophobicContact CG1-CG2 4.12Å; I88-T109 HydrophobicContact CG2-CG2 4.02Å; I107-T109 HydrophobicContact CD1-CG2 3.91Å; I107-T109 HydrophobicContact CG1-CG2 3.89Å; I107-T109 HydrophobicContact CG2-CG2 4.45Å; T109-P169 CarbonylContact O-C 3.6Å; T109-P169 WeakPolarHBondContact O-CA 3.32Å; T109-Q170 PolarHBondContact N-O 3.37Å; T109-Q170 PolarHBondContact O-N 3.12Å; T109-Q170 PolarHBondContact OG1-O 3.46Å
110	H	98.1	Very high	96.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	139.1	-175.7	-169.2	77.7	0	0	0	112.8	G5 I6 L7 T36 F40 A112 R114 T168	G5-H110 PolarHBondContact O-N 2.77Å; I6-H110 HydrophobicContact CD1-CB 4.26Å; L7-H110 PolarHBondContact N-O 2.98Å; T36-H110 VanDerWaalsContact CG2-CD2 3.49Å; T36-H110 WeakPolarHBondContact CG2-CD2 3.33Å; F40-H110 HydrophobicContact CE2-CB 3.94Å; F40-H110 AromaticContact CE2-CD2 3.75Å; F40-H110 AromaticContact CE2-CG 3.9Å; F40-H110 HydrophobicContact CZ-CB 3.49Å; F40-H110 VanDerWaalsContact CZ-CB 3.49Å; F40-H110 AromaticContact CZ-CG 3.78Å; H110-A112 PolarHBondContact O-N 2.66Å; H110-R114 WeakPolarHBondContact NE2-CB 3.45Å; H110-R114 PolarHBondContact NE2-O 3.1Å; H110-T168 PolarHBondContact CE1-O 3Å; H110-T168 PolarHBondContact CE1-OG1 3.36Å; H110-T168 PolarHBondContact ND1-O 3.4Å; H110-T168 PolarHBondContact ND1-OG1 2.84Å
111	D	96.8	Very high	96.9	Very high	12 Å²	12	26 Å²	26	6%	0.064	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	127.1	174.2	-72	-41.6	0	0	0	110.2	V113 R114 T168 K217	D111-V113 HydrophobicContact CB-CG2 4.36Å; D111-V113 PolarHBondContact O-N 2.79Å; D111-R114 HydrophobicContact CB-CG 4.11Å; D111-R114 PolarHBondContact O-N 3.44Å; D111-R114 IonicContact OD2-CZ 3.26Å; D111-R114 IonicContact OD2-NE 2.89Å; D111-R114 PolarHBondContact OD2-NE 2.79Å; D111-R114 VanDerWaalsContact OD2-NE 3.1Å; D111-R114 IonicContact OD2-NH2 2.62Å; D111-T168 PolarHBondContact N-OG1 3.12Å; D111-K217 IonicContact OD1-NZ 2.7Å; D111-K217 PolarHBondContact OD1-NZ 2.99Å; D111-K217 VanDerWaalsContact OD1-NZ 3.13Å; D111-K217 WeakPolarHBondContact OD2-CD 3.33Å; D111-K217 WeakPolarHBondContact OD2-CE 3.48Å; D111-K217 IonicContact OD2-NZ 2.78Å; D111-K217 PolarHBondContact OD2-NZ 2.74Å
112	A	97.4	Very high	97.1	Very high	2 Å²	2	24.4 Å²	24.4	2%	0.017	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-1.8	177.1	0	0	0	0	0	115.1	I6 L7 A8 Q23 L33 T36 H110	I6-A112 HydrophobicContact CG2-CB 3.81Å; L7-A112 WeakPolarHBondContact O-CB 3.32Å; L7-A112 PolarHBondContact O-N 2.88Å; L7-A112 VanDerWaalsContact O-N 3.09Å; A8-A112 HydrophobicContact CB-CB 3.78Å; Q23-A112 HydrophobicContact CB-CB 4.16Å; L33-A112 HydrophobicContact CD1-CB 3.94Å; T36-A112 PolarHBondContact OG1-O 3.33Å; H110-A112 PolarHBondContact O-N 2.66Å
113	V	95.9	Very high	97.1	Very high	5 Å²	5	25.9 Å²	25.9	3%	0.03	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	25.4	-175.5	-63.4	0	0	0	0	113.3	K22 Q23 I32 D111 P115 K217 V218	K22-V113 HydrophobicContact CB-CG1 4.39Å; K22-V113 HydrophobicContact CD-CB 4.5Å; K22-V113 HydrophobicContact CD-CG1 3.87Å; K22-V113 HydrophobicContact CD-CG2 4.33Å; K22-V113 HydrophobicContact CG-CG1 3.83Å; Q23-V113 HydrophobicContact CB-CG1 3.96Å; I32-V113 HydrophobicContact CG2-CB 4.29Å; I32-V113 HydrophobicContact CG2-CG1 4.37Å; D111-V113 HydrophobicContact CB-CG2 4.36Å; D111-V113 PolarHBondContact O-N 2.79Å; V113-P115 VanDerWaalsContact C-CD 3.48Å; V113-P115 WeakPolarHBondContact O-CD 3.27Å; V113-K217 HydrophobicContact CG2-CG 3.8Å; V113-V218 HydrophobicContact CB-CB 4.4Å; V113-V218 PolarHBondContact O-N 2.74Å
114	R	96.9	Very high	97.3	Very high	22 Å²	22	23.6 Å²	23.6	8%	0.083	11%	0.109	C	C	.	.			trans	-119.2	74	172	-73.5	-177.3	-170.4	-93.1	7.5	109.1	H110 D111 F116 T168 N215 I216 K217	H110-R114 WeakPolarHBondContact NE2-CB 3.45Å; H110-R114 PolarHBondContact NE2-O 3.1Å; D111-R114 HydrophobicContact CB-CG 4.11Å; D111-R114 PolarHBondContact O-N 3.44Å; D111-R114 IonicContact OD2-CZ 3.26Å; D111-R114 IonicContact OD2-NE 2.89Å; D111-R114 PolarHBondContact OD2-NE 2.79Å; D111-R114 VanDerWaalsContact OD2-NE 3.1Å; D111-R114 IonicContact OD2-NH2 2.62Å; R114-F116 PolarHBondContact O-N 2.77Å; R114-T168 VanDerWaalsContact CD-OG1 3.24Å; R114-T168 WeakPolarHBondContact CD-OG1 3.03Å; R114-T168 PolarHBondContact NE-OG1 2.91Å; R114-N215 PolarHBondContact NH1-O 2.82Å; R114-I216 WeakPolarHBondContact CA-O 3.49Å; R114-I216 WeakPolarHBondContact CG-O 3.45Å; R114-K217 HydrophobicContact CG-CB 4.06Å; R114-K217 HydrophobicContact CG-CG 4.23Å
115	P	96.4	Very high	97.4	Very high	4 Å²	4	17.8 Å²	17.8	3%	0.026	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-11.8	-168.9	30.3	-35.9	0	0	0	114	L27 I32 H35 V113	L27-P115 HydrophobicContact CD2-CB 4Å; L27-P115 HydrophobicContact CD2-CG 3.66Å; I32-P115 HydrophobicContact CG2-CB 4.1Å; I32-P115 HydrophobicContact CG2-CG 4.01Å; H35-P115 HydrophobicContact CB-CB 3.6Å; V113-P115 VanDerWaalsContact C-CD 3.48Å; V113-P115 WeakPolarHBondContact O-CD 3.27Å
116	F	96.7	Very high	97.4	Very high	4 Å²	4	17.8 Å²	17.8	2%	0.018	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	29.5	-174.3	-48.3	-63.7	0	0	0	113.1	L27 R114 Y214 I216 A227 I230 I231 A236	L27-F116 HydrophobicContact CD2-CE1 4.04Å; L27-F116 HydrophobicContact CD2-CZ 3.73Å; R114-F116 PolarHBondContact O-N 2.77Å; F116-Y214 HydrophobicContact CB-CD2 3.83Å; F116-Y214 HydrophobicContact CB-CE2 4.48Å; F116-Y214 WeakPolarHBondContact CB-O 3.5Å; F116-Y214 VanDerWaalsContact CD2-O 3.25Å; F116-Y214 WeakPolarHBondContact CD2-O 3.36Å; F116-Y214 WeakPolarHBondContact O-CE2 3.5Å; F116-I216 HydrophobicContact CD2-CG1 3.96Å; F116-I216 HydrophobicContact CE2-CD1 4.27Å; F116-I216 HydrophobicContact CE2-CG1 4.03Å; F116-A227 HydrophobicContact CE2-CB 3.69Å; F116-A227 HydrophobicContact CZ-CB 3.81Å; F116-A227 WeakPolarHBondContact CZ-O 3.41Å; F116-I230 HydrophobicContact CD1-CG2 3.8Å; F116-I230 HydrophobicContact CD2-CD1 4.19Å; F116-I230 HydrophobicContact CD2-CG2 4.14Å; F116-I230 HydrophobicContact CE1-CB 4.18Å; F116-I230 HydrophobicContact CE1-CG2 3.67Å; F116-I230 HydrophobicContact CE2-CB 4.1Å; F116-I230 HydrophobicContact CE2-CD1 3.93Å; F116-I230 HydrophobicContact CE2-CG2 4.02Å; F116-I230 HydrophobicContact CG-CG2 4.03Å; F116-I230 HydrophobicContact CZ-CB 3.84Å; F116-I230 HydrophobicContact CZ-CG2 3.78Å; F116-I231 HydrophobicContact CE1-CB 3.98Å; F116-I231 HydrophobicContact CZ-CB 4.39Å; F116-A236 HydrophobicContact CD1-CB 3.89Å; F116-A236 HydrophobicContact CE1-CB 4.38Å
117	L	96.4	Very high	97.4	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	11%	0.105	C	C	.	.			trans	-67.4	135.5	173	179.2	61.7	0	0	0	110.6	K39 F40 I121 I122 P169	K39-L117 WeakPolarHBondContact CD-O 3.31Å; K39-L117 WeakPolarHBondContact CG-O 3.39Å; F40-L117 HydrophobicContact CE2-CD2 3.57Å; F40-L117 HydrophobicContact CZ-CD2 3.62Å; L117-I121 HydrophobicContact CD1-CB 3.75Å; L117-I121 HydrophobicContact CD1-CD1 3.98Å; L117-I121 HydrophobicContact CD1-CG1 4.5Å; L117-I121 HydrophobicContact CD1-CG2 3.64Å; L117-I122 HydrophobicContact CD1-CG1 4.34Å; L117-I122 HydrophobicContact CD2-CD1 3.64Å; L117-I122 HydrophobicContact CD2-CG1 3.45Å; L117-I122 VanDerWaalsContact CD2-CG1 3.45Å; L117-I122 HydrophobicContact CG-CD1 4.03Å; L117-I122 HydrophobicContact CG-CG1 3.82Å; L117-P169 HydrophobicContact CD1-CG 3.93Å; L117-P169 HydrophobicContact CD2-CG 3.83Å
118	T	95.9	Very high	97.4	Very high	7 Å²	7	24 Å²	24	4%	0.043	11%	0.11	C	C	.	.			trans	-94.8	153.9	174.9	64.6	0	0	0	0	112.9	R120 I121 I122 E212 Y214 D238	T118-R120 PolarHBondContact O-N 2.97Å; T118-I121 PolarHBondContact O-N 3.09Å; T118-I121 WeakPolarHBondContact OG1-CG1 3.45Å; T118-I121 PolarHBondContact OG1-N 3.44Å; T118-I122 PolarHBondContact O-N 2.85Å; T118-E212 HydrophobicContact CG2-CG 4.45Å; T118-Y214 HydrophobicContact CG2-CE2 3.88Å; T118-Y214 WeakPolarHBondContact CG2-OH 3.43Å; T118-D238 HydrophobicContact CG2-CB 4.45Å
119	H	96.5	Very high	97.4	Very high	34 Å²	34	24.1 Å²	24.1	16%	0.157	11%	0.11	C	C	.	.	H	α-helix	trans	-60.1	-31.4	173.2	-58.7	127.4	0	0	0	112.7	I43 I122 K123 D238	I43-H119 HydrophobicContact CD1-CB 4.08Å; H119-I122 PolarHBondContact O-N 2.86Å; H119-K123 WeakPolarHBondContact O-CB 3.18Å; H119-K123 WeakPolarHBondContact O-CG 3.45Å; H119-K123 PolarHBondContact O-N 2.91Å; H119-D238 PolarHBondContact ND1-OXT 2.89Å
120	R	97	Very high	97.3	Very high	88 Å²	88	27.9 Å²	27.9	33%	0.332	13%	0.13	S	C	.	.	H	α-helix	trans	-57.4	-54.7	173.9	-178.1	-171.9	66.3	70	-0.6	110.7	T118 I122 K123 E124 K210 E212	T118-R120 PolarHBondContact O-N 2.97Å; R120-I122 VanDerWaalsContact C-N 3.3Å; R120-I122 PolarHBondContact O-N 3.03Å; R120-K123 PolarHBondContact O-N 3.02Å; R120-E124 WeakPolarHBondContact CD-OE1 3.41Å; R120-E124 HydrophobicContact CG-CG 4.44Å; R120-E124 WeakPolarHBondContact CG-OE1 3.35Å; R120-E124 IonicContact CZ-OE1 2.69Å; R120-E124 IonicContact NH1-OE1 3.83Å; R120-E124 PolarHBondContact NH1-OE1 2.97Å; R120-E124 IonicContact NH1-OE2 3.41Å; R120-E124 PolarHBondContact NH1-OE2 3.49Å; R120-E124 WeakPolarHBondContact O-CB 3.28Å; R120-E124 WeakPolarHBondContact O-CG 3.39Å; R120-E124 PolarHBondContact O-N 3.32Å; R120-K210 PolarHBondContact NH1-O 2.99Å; R120-K210 VanDerWaalsContact NH1-O 3.16Å; R120-K210 PolarHBondContact NH2-O 3.24Å; R120-K210 VanDerWaalsContact NH2-O 3.09Å; R120-E212 IonicContact CZ-OE1 3.81Å; R120-E212 IonicContact NE-OE1 2.91Å; R120-E212 IonicContact NH2-OE1 3.27Å; R120-E212 PolarHBondContact NH2-OE1 3.25Å
121	I	97.9	Very high	97.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58.5	-43.8	-179.3	-66	164.5	0	0	0	110.7	L117 T118 N125 T137 P169 E212	L117-I121 HydrophobicContact CD1-CB 3.75Å; L117-I121 HydrophobicContact CD1-CD1 3.98Å; L117-I121 HydrophobicContact CD1-CG1 4.5Å; L117-I121 HydrophobicContact CD1-CG2 3.64Å; T118-I121 PolarHBondContact O-N 3.09Å; T118-I121 WeakPolarHBondContact OG1-CG1 3.45Å; T118-I121 PolarHBondContact OG1-N 3.44Å; I121-N125 VanDerWaalsContact O-CB 3.29Å; I121-N125 WeakPolarHBondContact O-CB 3.43Å; I121-N125 PolarHBondContact O-N 2.68Å; I121-N125 PolarHBondContact O-ND2 3.16Å; I121-T137 HydrophobicContact CG2-CG2 3.79Å; I121-P169 VanDerWaalsContact CG2-CD 3.5Å; I121-P169 HydrophobicContact CG2-CG 4.25Å; I121-E212 HydrophobicContact CD1-CB 4.28Å; I121-E212 HydrophobicContact CD1-CG 3.78Å
122	I	98.2	Very high	97.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.7	-49.3	179	-62.1	166.8	0	0	0	110.8	K39 I43 F46 L117 T118 H119 R120 N125 I126	K39-I122 HydrophobicContact CB-CD1 4.45Å; I43-I122 HydrophobicContact CG1-CD1 4.17Å; I43-I122 HydrophobicContact CG1-CG2 4.14Å; I43-I122 HydrophobicContact CG2-CG2 4.49Å; F46-I122 HydrophobicContact CE2-CG2 3.85Å; F46-I122 HydrophobicContact CZ-CG2 3.77Å; L117-I122 HydrophobicContact CD1-CG1 4.34Å; L117-I122 HydrophobicContact CD2-CD1 3.64Å; L117-I122 HydrophobicContact CD2-CG1 3.45Å; L117-I122 VanDerWaalsContact CD2-CG1 3.45Å; L117-I122 HydrophobicContact CG-CD1 4.03Å; L117-I122 HydrophobicContact CG-CG1 3.82Å; T118-I122 PolarHBondContact O-N 2.85Å; H119-I122 PolarHBondContact O-N 2.86Å; R120-I122 VanDerWaalsContact C-N 3.3Å; R120-I122 PolarHBondContact O-N 3.03Å; I122-N125 WeakPolarHBondContact O-CB 3.24Å; I122-N125 PolarHBondContact O-N 3.11Å; I122-I126 HydrophobicContact CG2-CD1 4.01Å; I122-I126 WeakPolarHBondContact O-CG1 3.36Å; I122-I126 PolarHBondContact O-N 3.38Å
123	K	97.7	Very high	97.4	Very high	119 Å²	119	39 Å²	39	52%	0.517	18%	0.181	S	C	.	.	H	α-helix	trans	-65.2	-42.4	-178.5	-72.5	177.1	-179.2	179.8	0	112.4	I43 H119 R120 N125 I126 Q127	I43-K123 HydrophobicContact CD1-CG 4.49Å; H119-K123 WeakPolarHBondContact O-CB 3.18Å; H119-K123 WeakPolarHBondContact O-CG 3.45Å; H119-K123 PolarHBondContact O-N 2.91Å; R120-K123 PolarHBondContact O-N 3.02Å; K123-N125 VanDerWaalsContact C-N 3.32Å; K123-N125 PolarHBondContact O-N 3.29Å; K123-I126 PolarHBondContact O-N 3.23Å; K123-Q127 WeakPolarHBondContact O-CG 3.27Å; K123-Q127 PolarHBondContact O-N 2.91Å
124	E	98.2	Very high	97.5	Very high	73 Å²	73	38.8 Å²	38.8	34%	0.341	18%	0.18	S	C	.	.	H	α-helix	trans	-62.7	-40	175.4	-75	177.2	-159.5	0	0	111.6	R120 Q127 A128 V209	R120-E124 WeakPolarHBondContact CD-OE1 3.41Å; R120-E124 HydrophobicContact CG-CG 4.44Å; R120-E124 WeakPolarHBondContact CG-OE1 3.35Å; R120-E124 IonicContact CZ-OE1 2.69Å; R120-E124 IonicContact NH1-OE1 3.83Å; R120-E124 PolarHBondContact NH1-OE1 2.97Å; R120-E124 IonicContact NH1-OE2 3.41Å; R120-E124 PolarHBondContact NH1-OE2 3.49Å; R120-E124 WeakPolarHBondContact O-CB 3.28Å; R120-E124 WeakPolarHBondContact O-CG 3.39Å; R120-E124 PolarHBondContact O-N 3.32Å; E124-Q127 PolarHBondContact O-N 3.22Å; E124-A128 VanDerWaalsContact O-CB 3.24Å; E124-A128 WeakPolarHBondContact O-CB 3.39Å; E124-A128 PolarHBondContact O-N 3.31Å; E124-V209 HydrophobicContact CB-CG1 3.85Å; E124-V209 HydrophobicContact CB-CG2 4.37Å; E124-V209 WeakPolarHBondContact OE2-CG1 3.26Å
125	N	98.4	Very high	97.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.9	-45.8	174.3	-97.8	-94.7	0	0	0	112.4	I121 I122 K123 A129 T137 P169 S171	I121-N125 VanDerWaalsContact O-CB 3.29Å; I121-N125 WeakPolarHBondContact O-CB 3.43Å; I121-N125 PolarHBondContact O-N 2.68Å; I121-N125 PolarHBondContact O-ND2 3.16Å; I122-N125 WeakPolarHBondContact O-CB 3.24Å; I122-N125 PolarHBondContact O-N 3.11Å; K123-N125 VanDerWaalsContact C-N 3.32Å; K123-N125 PolarHBondContact O-N 3.29Å; N125-A129 WeakPolarHBondContact O-CB 3.21Å; N125-A129 PolarHBondContact O-N 3.09Å; N125-T137 PolarHBondContact ND2-OG1 3.22Å; N125-P169 PolarHBondContact OD1-O 2.85Å; N125-S171 VanDerWaalsContact CB-OG 3.27Å; N125-S171 WeakPolarHBondContact CB-OG 3.37Å; N125-S171 PolarHBondContact OD1-OG 2.99Å
126	I	97.9	Very high	97.7	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-60.5	-51	176.9	-68.7	167.2	0	0	0	110.2	K2 I43 F46 V108 I122 K123 A129 L130	K2-I126 HydrophobicContact CD-CG2 3.73Å; K2-I126 HydrophobicContact CG-CG2 4.29Å; I43-I126 HydrophobicContact CG2-CD1 4.42Å; F46-I126 HydrophobicContact CE1-CD1 4.12Å; F46-I126 HydrophobicContact CE2-CD1 4.42Å; F46-I126 HydrophobicContact CZ-CD1 3.84Å; F46-I126 HydrophobicContact CZ-CG1 4.44Å; V108-I126 HydrophobicContact CG2-CG1 3.75Å; I122-I126 HydrophobicContact CG2-CD1 4.01Å; I122-I126 WeakPolarHBondContact O-CG1 3.36Å; I122-I126 PolarHBondContact O-N 3.38Å; K123-I126 PolarHBondContact O-N 3.23Å; I126-A129 PolarHBondContact O-N 2.99Å; I126-L130 HydrophobicContact CG2-CD1 4.07Å; I126-L130 WeakPolarHBondContact O-CG 3.14Å; I126-L130 PolarHBondContact O-N 2.69Å; I126-L130 VanDerWaalsContact O-N 3.08Å
127	Q	97.7	Very high	97.8	Very high	122 Å²	122	38.5 Å²	38.5	57%	0.57	18%	0.179	S	C	*	.	H	α-helix	trans	-60.9	-49.7	-178.7	-71.7	-72.8	-22.5	0	0	111.5	K123 E124 A129 L130 E131	K123-Q127 WeakPolarHBondContact O-CG 3.27Å; K123-Q127 PolarHBondContact O-N 2.91Å; E124-Q127 PolarHBondContact O-N 3.22Å; Q127-A129 VanDerWaalsContact C-N 3.32Å; Q127-A129 PolarHBondContact O-N 3.34Å; Q127-L130 PolarHBondContact O-N 2.88Å; Q127-E131 PolarHBondContact O-N 3.27Å; Q127-E131 VanDerWaalsContact O-N 3.07Å
128	A	98.2	Very high	97.8	Very high	11 Å²	11	38.6 Å²	38.6	9%	0.091	18%	0.18	C	C	.	.	H	α-helix	trans	-66.6	-31.7	-179.7	0	0	0	0	0	112.6	E124 E131 Y132 V135 V209	E124-A128 VanDerWaalsContact O-CB 3.24Å; E124-A128 WeakPolarHBondContact O-CB 3.39Å; E124-A128 PolarHBondContact O-N 3.31Å; A128-E131 PolarHBondContact O-N 2.82Å; A128-Y132 HydrophobicContact CB-CD2 4.19Å; A128-Y132 WeakPolarHBondContact O-CB 3.4Å; A128-Y132 WeakPolarHBondContact O-CD2 3.47Å; A128-Y132 PolarHBondContact O-N 3.04Å; A128-V135 VanDerWaalsContact C-CG2 3.42Å; A128-V135 HydrophobicContact CB-CG1 4.24Å; A128-V135 HydrophobicContact CB-CG2 3.56Å; A128-V209 HydrophobicContact CB-CG2 4.02Å
129	A	98.1	Very high	97.9	Very high	1 Å²	1	39 Å²	39	1%	0.008	18%	0.182	C	C	.	.	H	α-helix	trans	-72.4	-33.4	176.5	0	0	0	0	0	112.2	V106 N125 I126 Q127 G133 V135	V106-A129 HydrophobicContact CG1-CB 3.57Å; V106-A129 HydrophobicContact CG2-CB 4.12Å; N125-A129 WeakPolarHBondContact O-CB 3.21Å; N125-A129 PolarHBondContact O-N 3.09Å; I126-A129 PolarHBondContact O-N 2.99Å; Q127-A129 VanDerWaalsContact C-N 3.32Å; Q127-A129 PolarHBondContact O-N 3.34Å; A129-G133 WeakPolarHBondContact O-CA 3.29Å; A129-G133 PolarHBondContact O-N 3.23Å; A129-V135 HydrophobicContact CB-CG2 3.96Å; A129-V135 VanDerWaalsContact N-CG2 3.33Å
130	L	97.4	Very high	98	Very high	79 Å²	79	41.4 Å²	41.4	41%	0.414	20%	0.196	S	C	.	.	H	α-helix	trans	-66.9	-36.9	171.6	-70.1	167.6	0	0	0	111.9	V106 I126 Q127	V106-L130 HydrophobicContact CG2-CD2 3.75Å; V106-L130 HydrophobicContact CG2-CG 4.12Å; I126-L130 HydrophobicContact CG2-CD1 4.07Å; I126-L130 WeakPolarHBondContact O-CG 3.14Å; I126-L130 PolarHBondContact O-N 2.69Å; I126-L130 VanDerWaalsContact O-N 3.08Å; Q127-L130 PolarHBondContact O-N 2.88Å
131	E	97.8	Very high	97.9	Very high	134 Å²	134	37.6 Å²	37.6	63%	0.626	18%	0.183	S	C	*	.	H	α-helix	trans	-82.1	-41.9	-178.2	-171.8	-179.9	165.9	0	0	113.4	Q127 A128	Q127-E131 PolarHBondContact O-N 3.27Å; Q127-E131 VanDerWaalsContact O-N 3.07Å; A128-E131 PolarHBondContact O-N 2.82Å
132	Y	97.8	Very high	97.8	Very high	102 Å²	102	42.5 Å²	42.5	40%	0.4	21%	0.209	S	C	.	.	H	α-helix	trans	-115.3	-6.8	-169.4	-57.6	-72.6	0	0	0	114.3	A128 A134 R207	A128-Y132 HydrophobicContact CB-CD2 4.19Å; A128-Y132 WeakPolarHBondContact O-CB 3.4Å; A128-Y132 WeakPolarHBondContact O-CD2 3.47Å; A128-Y132 PolarHBondContact O-N 3.04Å; Y132-A134 PolarHBondContact O-N 3.1Å; Y132-R207 HydrophobicContact CD2-CB 4.07Å; Y132-R207 HydrophobicContact CD2-CG 3.76Å; Y132-R207 HydrophobicContact CE2-CG 4.11Å; Y132-R207 HydrophobicContact CG-CB 4.13Å; Y132-R207 HydrophobicContact CG-CG 4.2Å
133	G	98	Very high	97.6	Very high	13 Å²	13	48.2 Å²	48.2	13%	0.134	24%	0.239	C	C	.	.	S	Bend	trans	79.5	-34.6	178.8	0	0	0	0	0	115.3	A129 F172 N173 L176	A129-G133 WeakPolarHBondContact O-CA 3.29Å; A129-G133 PolarHBondContact O-N 3.23Å; G133-F172 CarbonylContact O-C 3.54Å; G133-F172 VanDerWaalsContact O-CA 3.31Å; G133-F172 WeakPolarHBondContact O-CA 3.37Å; G133-N173 PolarHBondContact O-N 2.74Å; G133-L176 WeakPolarHBondContact O-CD2 3.47Å
134	A	98.4	Very high	97.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	137	179.1	0	0	0	0	0	112.2	Y132 S171 F172 L176 I199 V206 R207	Y132-A134 PolarHBondContact O-N 3.1Å; A134-S171 CarbonylContact C-O 3.5Å; A134-S171 WeakPolarHBondContact CA-O 3.4Å; A134-F172 HydrophobicContact CB-CD1 3.96Å; A134-F172 HydrophobicContact CB-CE1 4.41Å; A134-L176 HydrophobicContact CB-CD2 4.08Å; A134-I199 HydrophobicContact CB-CB 4.47Å; A134-I199 HydrophobicContact CB-CG1 4.1Å; A134-I199 HydrophobicContact CB-CG2 3.94Å; A134-V206 HydrophobicContact CB-CG1 4.5Å; A134-V206 HydrophobicContact CB-CG2 4.1Å; A134-R207 PolarHBondContact O-N 2.95Å
135	V	98.6	Very high	97.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	134.9	-172.3	-172.9	0	0	0	0	111.4	A128 A129 Q170 S171 R207 V209	A128-V135 VanDerWaalsContact C-CG2 3.42Å; A128-V135 HydrophobicContact CB-CG1 4.24Å; A128-V135 HydrophobicContact CB-CG2 3.56Å; A129-V135 HydrophobicContact CB-CG2 3.96Å; A129-V135 VanDerWaalsContact N-CG2 3.33Å; V135-Q170 WeakPolarHBondContact O-CA 3.49Å; V135-S171 PolarHBondContact N-O 3.38Å; V135-S171 PolarHBondContact O-N 2.95Å; V135-R207 CarbonylContact C-O 3.58Å; V135-R207 VanDerWaalsContact CA-O 3.23Å; V135-R207 WeakPolarHBondContact CA-O 3.36Å; V135-R207 HydrophobicContact CG2-CB 4.48Å; V135-V209 HydrophobicContact CG1-CB 3.95Å; V135-V209 HydrophobicContact CG1-CG2 3.47Å; V135-V209 VanDerWaalsContact CG1-CG2 3.47Å
136	D	98.2	Very high	97.4	Very high	23 Å²	23	49.9 Å²	49.9	12%	0.123	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	138.2	166.9	-161	5.7	0	0	0	110.4	V138 Q170 C196 V206 R207 L208 V209	D136-V138 HydrophobicContact CB-CG1 4.32Å; D136-Q170 VanDerWaalsContact OD1-CG 3.27Å; D136-Q170 WeakPolarHBondContact OD1-CG 3.44Å; D136-Q170 PolarHBondContact OD1-NE2 3.49Å; D136-C196 HydrophobicContact CB-CB 4.48Å; D136-V206 HydrophobicContact CB-CG1 3.95Å; D136-R207 PolarHBondContact N-O 2.92Å; D136-L208 HydrophobicContact CB-CD2 4.3Å; D136-L208 WeakPolarHBondContact O-CA 3.3Å; D136-V209 PolarHBondContact O-N 3.26Å
137	T	98.7	Very high	97.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	127.1	173.6	-59.9	0	0	0	0	108.7	I121 N125 Q167 P169 V209 G211	I121-T137 HydrophobicContact CG2-CG2 3.79Å; N125-T137 PolarHBondContact ND2-OG1 3.22Å; T137-Q167 HydrophobicContact CG2-CB 4.16Å; T137-Q167 WeakPolarHBondContact O-CA 3.46Å; T137-Q167 WeakPolarHBondContact O-CB 3.34Å; T137-Q167 PolarHBondContact O-N 3.44Å; T137-P169 WeakPolarHBondContact CB-O 3.43Å; T137-P169 PolarHBondContact N-O 3.48Å; T137-P169 PolarHBondContact OG1-O 2.83Å; T137-V209 CarbonylContact C-O 3.59Å; T137-V209 WeakPolarHBondContact CA-O 3.48Å; T137-G211 VanDerWaalsContact CG2-CA 3.49Å
138	V	98.2	Very high	97.3	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.018	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	157	-174	-56.6	0	0	0	0	113.6	D136 Y164 Q165 L208 V209 G211	D136-V138 HydrophobicContact CB-CG1 4.32Å; V138-Y164 HydrophobicContact CB-CD1 4.39Å; V138-Y164 HydrophobicContact CB-CG 4.41Å; V138-Y164 HydrophobicContact CG2-CD1 3.77Å; V138-Y164 HydrophobicContact CG2-CE1 4.49Å; V138-Y164 HydrophobicContact CG2-CG 4.08Å; V138-Q165 WeakPolarHBondContact CA-O 3.37Å; V138-L208 HydrophobicContact CG1-CD2 3.86Å; V138-L208 HydrophobicContact CG2-CB 3.99Å; V138-L208 HydrophobicContact CG2-CD1 4.21Å; V138-L208 HydrophobicContact CG2-CD2 4.18Å; V138-L208 HydrophobicContact CG2-CG 4.35Å; V138-V209 PolarHBondContact N-O 2.89Å; V138-G211 PolarHBondContact O-N 2.69Å
139	I	97.9	Very high	97.2	Very high	17 Å²	17	56.2 Å²	56.2	9%	0.087	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	155.7	164.8	58.8	171.7	0	0	0	109.6	Y164 Q165 L213	I139-Y164 CarbonylContact O-C 3.58Å; I139-Y164 VanDerWaalsContact O-CA 3.31Å; I139-Y164 WeakPolarHBondContact O-CA 3.4Å; I139-Q165 HydrophobicContact CD1-CB 4.35Å; I139-Q165 HydrophobicContact CG1-CB 3.83Å; I139-Q165 PolarHBondContact N-O 3.29Å; I139-Q165 VanDerWaalsContact N-O 3.13Å; I139-Q165 PolarHBondContact O-N 3.26Å; I139-L213 HydrophobicContact CD1-CD2 3.74Å
140	D	97.3	Very high	97.1	Very high	83 Å²	83	59.5 Å²	59.5	44%	0.444	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	142.9	176.9	-59.4	-65.5	0	0	0	111	I142 Y164 K210	D140-I142 PolarHBondContact O-N 2.82Å; D140-Y164 WeakPolarHBondContact OD1-CE1 3.4Å; D140-K210 IonicContact OD1-NZ 2.73Å; D140-K210 PolarHBondContact OD1-NZ 2.77Å; D140-K210 IonicContact OD2-NZ 2.66Å; D140-K210 PolarHBondContact OD2-NZ 3.09Å
141	A	96.2	Very high	97	Very high	9 Å²	9	63 Å²	63	7%	0.074	33%	0.332	C	S	.	.			trans	-69.5	118.1	170.2	0	0	0	0	0	110.1	I145 R160 M163	A141-I145 HydrophobicContact CB-CD1 4.37Å; A141-I145 HydrophobicContact CB-CG1 4.14Å; A141-R160 HydrophobicContact CB-CG 4.06Å; A141-R160 WeakPolarHBondContact O-CD 3.49Å; A141-R160 WeakPolarHBondContact O-CG 3.45Å; A141-M163 HydrophobicContact CB-CB 3.8Å; A141-M163 WeakPolarHBondContact CB-O 3.4Å; A141-M163 PolarHBondContact N-O 3.42Å
142	I	94.2	Very high	96.9	Very high	103 Å²	103	64.9 Å²	64.9	53%	0.528	34%	0.341	S	S	.	.			trans	-87.1	-47.3	-179	-61.1	172.8	0	0	0	110.6	D140 R160 L213	D140-I142 PolarHBondContact O-N 2.82Å; I142-R160 WeakPolarHBondContact O-CD 3.37Å; I142-R160 PolarHBondContact O-NH1 2.77Å; I142-L213 HydrophobicContact CD1-CD1 4.48Å; I142-L213 HydrophobicContact CD1-CD2 3.92Å
143	D	95.1	Very high	96.9	Very high	120 Å²	120	64.1 Å²	64.1	64%	0.642	35%	0.347	S	S	*	.	S	Bend	trans	-82.1	155.9	178.1	-63.3	-43.8	0	0	0	111.8	I145 R160	D143-I145 PolarHBondContact O-N 2.83Å; D143-R160 VanDerWaalsContact O-CD 3.25Å; D143-R160 WeakPolarHBondContact O-CD 3.48Å
144	T	95.7	Very high	96.9	Very high	91 Å²	91	68.4 Å²	68.4	56%	0.558	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-62.5	124.8	172.6	-62.8	0	0	0	0	109.9	V146 I157	T144-V146 HydrophobicContact CG2-CG1 4.37Å; T144-I157 HydrophobicContact CG2-CG2 3.66Å
145	I	96.2	Very high	96.8	Very high	57 Å²	57	72.3 Å²	72.3	29%	0.292	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-86.4	134.6	174.3	-55.8	-57.7	0	0	0	108.9	A141 D143 P158 M163	A141-I145 HydrophobicContact CB-CD1 4.37Å; A141-I145 HydrophobicContact CB-CG1 4.14Å; D143-I145 PolarHBondContact O-N 2.83Å; I145-P158 VanDerWaalsContact O-CD 3.28Å; I145-P158 WeakPolarHBondContact O-CD 3.47Å; I145-M163 HydrophobicContact CG1-CB 4.33Å
146	V	96.8	Very high	96.8	Very high	78 Å²	78	74.3 Å²	74.3	47%	0.473	40%	0.403	S	S	.	.			trans	-124.8	144.4	172.1	-55.1	0	0	0	0	108.7	T144 I154 A156 I157	T144-V146 HydrophobicContact CG2-CG1 4.37Å; V146-I154 HydrophobicContact CB-CD1 4.45Å; V146-I154 HydrophobicContact CB-CG1 4.35Å; V146-I154 HydrophobicContact CB-CG2 4.4Å; V146-I154 HydrophobicContact CG1-CD1 4.14Å; V146-A156 WeakPolarHBondContact CA-O 3.32Å; V146-I157 HydrophobicContact CG1-CG1 4.21Å
147	T	96.8	Very high	96.7	Very high	55 Å²	55	78.3 Å²	78.3	34%	0.337	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-106.8	149.7	170	62.4	0	0	0	0	109.6	D155 A156 P158	T147-D155 PolarHBondContact O-N 2.87Å; T147-A156 PolarHBondContact N-O 3.14Å; T147-A156 WeakPolarHBondContact OG1-CB 3.46Å; T147-A156 PolarHBondContact OG1-N 3.18Å; T147-A156 VanDerWaalsContact OG1-N 3.11Å; T147-A156 PolarHBondContact OG1-O 3.18Å; T147-P158 HydrophobicContact CG2-CG 4.29Å
148	S	97.3	Very high	96.6	Very high	45 Å²	45	80 Å²	80	32%	0.315	44%	0.435	S	S	.	.			trans	-143.8	137.3	173.3	177.7	0	0	0	0	108.6	D150 N151 Q152 T153	S148-D150 PolarHBondContact OG-OD1 2.79Å; S148-N151 WeakPolarHBondContact OG-CA 3.11Å; S148-N151 PolarHBondContact OG-N 2.9Å; S148-Q152 PolarHBondContact OG-N 3.12Å; S148-T153 WeakPolarHBondContact CB-O 3.42Å; S148-T153 PolarHBondContact OG-O 3.1Å
149	K	96	Very high	96.5	Very high	167 Å²	167	84.1 Å²	84.1	73%	0.726	46%	0.459	S	S	*	.	S	Bend	trans	-96.2	-21.3	176.9	-68.4	177.7	-178.3	136.2	0	112.8	D155	K149-D155 WeakPolarHBondContact CD-OD1 3.44Å; K149-D155 WeakPolarHBondContact CE-OD1 3.34Å; K149-D155 WeakPolarHBondContact CE-OD2 3.3Å; K149-D155 HydrophobicContact CG-CB 4.31Å; K149-D155 VanDerWaalsContact NZ-CG 3.27Å; K149-D155 IonicContact NZ-OD1 3.63Å; K149-D155 PolarHBondContact NZ-OD1 3.27Å; K149-D155 IonicContact NZ-OD2 3.59Å; K149-D155 PolarHBondContact NZ-OD2 2.84Å
150	D	96.2	Very high	96.4	Very high	70 Å²	70	88.2 Å²	88.2	37%	0.374	47%	0.474	S	S	.	.	S	Bend	trans	-112.9	0	-175.7	65.6	-1.8	0	0	0	113.2	S148 Q152 T153	S148-D150 PolarHBondContact OG-OD1 2.79Å; D150-Q152 PolarHBondContact O-N 2.84Å; D150-Q152 PolarHBondContact OD1-N 3.16Å; D150-T153 PolarHBondContact OD1-N 3.34Å; D150-T153 PolarHBondContact OD1-OG1 2.82Å; D150-T153 PolarHBondContact OD2-OG1 3.13Å
151	N	94.8	Very high	96.4	Very high	153 Å²	153	90.4 Å²	90.4	82%	0.818	49%	0.485	S	S	*	.	S	Bend	trans	57.7	20.4	-173.2	-58.8	-47	0	0	0	114.5	S148	S148-N151 WeakPolarHBondContact OG-CA 3.11Å; S148-N151 PolarHBondContact OG-N 2.9Å
152	Q	96.8	Very high	96.4	Very high	173 Å²	173	96.5 Å²	96.5	81%	0.808	51%	0.512	S	S	*	.	S	Bend	trans	-131.2	-37.5	-176.6	-70.5	176.8	73.2	0	0	112.4	S148 D150	S148-Q152 PolarHBondContact OG-N 3.12Å; D150-Q152 PolarHBondContact O-N 2.84Å; D150-Q152 PolarHBondContact OD1-N 3.16Å
153	T	97.1	Very high	96.5	Very high	86 Å²	86	94.2 Å²	94.2	53%	0.528	50%	0.5	S	S	.	.	S	Bend	trans	-122.3	146.8	-178.3	63.8	0	0	0	0	111.2	S148 D150 D155	S148-T153 WeakPolarHBondContact CB-O 3.42Å; S148-T153 PolarHBondContact OG-O 3.1Å; D150-T153 PolarHBondContact OD1-N 3.34Å; D150-T153 PolarHBondContact OD1-OG1 2.82Å; D150-T153 PolarHBondContact OD2-OG1 3.13Å; T153-D155 PolarHBondContact O-N 2.68Å
154	I	97.4	Very high	96.6	Very high	104 Å²	104	93.4 Å²	93.4	53%	0.533	49%	0.489	S	S	.	.			trans	-71.1	123.7	175.2	-65.3	174.3	0	0	0	108.3	V146 I157	V146-I154 HydrophobicContact CB-CD1 4.45Å; V146-I154 HydrophobicContact CB-CG1 4.35Å; V146-I154 HydrophobicContact CB-CG2 4.4Å; V146-I154 HydrophobicContact CG1-CD1 4.14Å; I154-I157 HydrophobicContact CG2-CG1 3.87Å
155	D	97.9	Very high	96.7	Very high	82 Å²	82	93.3 Å²	93.3	44%	0.439	48%	0.482	S	S	.	.			trans	-84.7	-45.1	172.8	-180	73.3	0	0	0	110.7	T147 K149 T153	T147-D155 PolarHBondContact O-N 2.87Å; K149-D155 WeakPolarHBondContact CD-OD1 3.44Å; K149-D155 WeakPolarHBondContact CE-OD1 3.34Å; K149-D155 WeakPolarHBondContact CE-OD2 3.3Å; K149-D155 HydrophobicContact CG-CB 4.31Å; K149-D155 VanDerWaalsContact NZ-CG 3.27Å; K149-D155 IonicContact NZ-OD1 3.63Å; K149-D155 PolarHBondContact NZ-OD1 3.27Å; K149-D155 IonicContact NZ-OD2 3.59Å; K149-D155 PolarHBondContact NZ-OD2 2.84Å; T153-D155 PolarHBondContact O-N 2.68Å
156	A	97.6	Very high	96.6	Very high	42 Å²	42	92.8 Å²	92.8	35%	0.347	49%	0.491	S	S	.	.	B	Isolated β-bridge	trans	-153	160.6	176.1	0	0	0	0	0	112.8	V146 T147	V146-A156 WeakPolarHBondContact CA-O 3.32Å; T147-A156 PolarHBondContact N-O 3.14Å; T147-A156 WeakPolarHBondContact OG1-CB 3.46Å; T147-A156 PolarHBondContact OG1-N 3.18Å; T147-A156 VanDerWaalsContact OG1-N 3.11Å; T147-A156 PolarHBondContact OG1-O 3.18Å
157	I	96.8	Very high	96.6	Very high	106 Å²	106	89.6 Å²	89.6	54%	0.544	47%	0.47	S	S	.	.			trans	-121.3	97.8	169.1	-53.8	-178	0	0	0	106.9	T144 V146 I154	T144-I157 HydrophobicContact CG2-CG2 3.66Å; V146-I157 HydrophobicContact CG1-CG1 4.21Å; I154-I157 HydrophobicContact CG2-CG1 3.87Å
158	P	96.5	Very high	96.7	Very high	37 Å²	37	87.1 Å²	87.1	24%	0.24	46%	0.455	C	S	.	.			trans	-64.4	160.3	-179.2	-21.9	34.1	0	0	0	113.2	I145 T147 R160 M163	I145-P158 VanDerWaalsContact O-CD 3.28Å; I145-P158 WeakPolarHBondContact O-CD 3.47Å; T147-P158 HydrophobicContact CG2-CG 4.29Å; P158-R160 PolarHBondContact O-N 3.33Å; P158-M163 HydrophobicContact CB-CE 3.36Å; P158-M163 HydrophobicContact CB-CG 4.15Å; P158-M163 HydrophobicContact CB-SD 3.75Å; P158-M163 HydrophobicContact CG-CE 4.46Å; P158-M163 HydrophobicContact CG-SD 4.44Å
159	V	96.5	Very high	96.7	Very high	89 Å²	89	85 Å²	85	54%	0.539	44%	0.44	S	S	.	.			trans	-67.1	100.8	174.9	-179.4	0	0	0	0	109.1	N161 E162 M163	V159-N161 PolarHBondContact O-N 3.47Å; V159-E162 HydrophobicContact CB-CG 4.32Å; V159-E162 HydrophobicContact CG1-CG 4.13Å; V159-E162 WeakPolarHBondContact O-CB 3.35Å; V159-E162 PolarHBondContact O-N 2.82Å; V159-M163 WeakPolarHBondContact O-CG 3.4Å
160	R	95.8	Very high	96.8	Very high	103 Å²	103	77 Å²	77	39%	0.389	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-52.4	-34.9	-172.4	-171.4	-172.5	65.2	-166.1	-7	114.2	A141 I142 D143 P158 E162 M163	A141-R160 HydrophobicContact CB-CG 4.06Å; A141-R160 WeakPolarHBondContact O-CD 3.49Å; A141-R160 WeakPolarHBondContact O-CG 3.45Å; I142-R160 WeakPolarHBondContact O-CD 3.37Å; I142-R160 PolarHBondContact O-NH1 2.77Å; D143-R160 VanDerWaalsContact O-CD 3.25Å; D143-R160 WeakPolarHBondContact O-CD 3.48Å; P158-R160 PolarHBondContact O-N 3.33Å; R160-E162 PolarHBondContact O-N 2.78Å; R160-M163 WeakPolarHBondContact O-CB 3.49Å; R160-M163 PolarHBondContact O-N 3.2Å
161	N	95.6	Very high	96.9	Very high	129 Å²	129	73.7 Å²	73.7	69%	0.69	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-68.6	-11.8	-179.8	-69.7	0.9	0	0	0	113.8	V159	V159-N161 PolarHBondContact O-N 3.47Å
162	E	96.6	Very high	97.1	Very high	136 Å²	136	66.4 Å²	66.4	64%	0.636	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-99	0.2	172.1	-59.9	176.4	-173.6	0	0	111.7	V159 R160	V159-E162 HydrophobicContact CB-CG 4.32Å; V159-E162 HydrophobicContact CG1-CG 4.13Å; V159-E162 WeakPolarHBondContact O-CB 3.35Å; V159-E162 PolarHBondContact O-N 2.82Å; R160-E162 PolarHBondContact O-N 2.78Å
163	M	97.2	Very high	97.2	Very high	56 Å²	56	59.5 Å²	59.5	28%	0.276	32%	0.318	S	S	.	.			trans	-103.7	137	-174.6	-56.1	-67	135.1	0	0	110.9	A141 I145 P158 V159 R160	A141-M163 HydrophobicContact CB-CB 3.8Å; A141-M163 WeakPolarHBondContact CB-O 3.4Å; A141-M163 PolarHBondContact N-O 3.42Å; I145-M163 HydrophobicContact CG1-CB 4.33Å; P158-M163 HydrophobicContact CB-CE 3.36Å; P158-M163 HydrophobicContact CB-CG 4.15Å; P158-M163 HydrophobicContact CB-SD 3.75Å; P158-M163 HydrophobicContact CG-CE 4.46Å; P158-M163 HydrophobicContact CG-SD 4.44Å; V159-M163 WeakPolarHBondContact O-CG 3.4Å; R160-M163 WeakPolarHBondContact O-CB 3.49Å; R160-M163 PolarHBondContact O-N 3.2Å
164	Y	97.5	Very high	97.2	Very high	102 Å²	102	55.4 Å²	55.4	40%	0.4	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	152.5	179.3	-61.5	-85.8	0	0	0	110.5	V138 I139 D140 L208	V138-Y164 HydrophobicContact CB-CD1 4.39Å; V138-Y164 HydrophobicContact CB-CG 4.41Å; V138-Y164 HydrophobicContact CG2-CD1 3.77Å; V138-Y164 HydrophobicContact CG2-CE1 4.49Å; V138-Y164 HydrophobicContact CG2-CG 4.08Å; I139-Y164 CarbonylContact O-C 3.58Å; I139-Y164 VanDerWaalsContact O-CA 3.31Å; I139-Y164 WeakPolarHBondContact O-CA 3.4Å; D140-Y164 WeakPolarHBondContact OD1-CE1 3.4Å; Y164-L208 HydrophobicContact CD2-CD1 4.02Å; Y164-L208 HydrophobicContact CE2-CD1 3.9Å; Y164-L208 HydrophobicContact CG-CD1 4.42Å
165	Q	96.3	Very high	97.2	Very high	90 Å²	90	52 Å²	52	42%	0.421	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	117.4	170.7	-58.1	-179.6	-15.7	0	0	109.5	V138 I139	V138-Q165 WeakPolarHBondContact CA-O 3.37Å; I139-Q165 HydrophobicContact CD1-CB 4.35Å; I139-Q165 HydrophobicContact CG1-CB 3.83Å; I139-Q165 PolarHBondContact N-O 3.29Å; I139-Q165 VanDerWaalsContact N-O 3.13Å; I139-Q165 PolarHBondContact O-N 3.26Å
166	G	95.8	Very high	97.2	Very high	46 Å²	46	49.4 Å²	49.4	47%	0.474	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	131.5	176.2	0	0	0	0	0	112.5
167	Q	97.1	Very high	97.2	Very high	10 Å²	10	47.4 Å²	47.4	5%	0.047	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	-175.1	171.5	-61.8	-169.3	-23	0	0	109.6	T137 E212 N215	T137-Q167 HydrophobicContact CG2-CB 4.16Å; T137-Q167 WeakPolarHBondContact O-CA 3.46Å; T137-Q167 WeakPolarHBondContact O-CB 3.34Å; T137-Q167 PolarHBondContact O-N 3.44Å; Q167-E212 PolarHBondContact NE2-O 3.1Å; Q167-E212 PolarHBondContact OE1-O 3.14Å; Q167-N215 PolarHBondContact OE1-ND2 3.03Å; Q167-N215 VanDerWaalsContact OE1-ND2 3.09Å
168	T	97.3	Very high	97.2	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	150.5	162.1	66.4	0	0	0	0	107.6	H110 D111 R114 N215	H110-T168 PolarHBondContact CE1-O 3Å; H110-T168 PolarHBondContact CE1-OG1 3.36Å; H110-T168 PolarHBondContact ND1-O 3.4Å; H110-T168 PolarHBondContact ND1-OG1 2.84Å; D111-T168 PolarHBondContact N-OG1 3.12Å; R114-T168 VanDerWaalsContact CD-OG1 3.24Å; R114-T168 WeakPolarHBondContact CD-OG1 3.03Å; R114-T168 PolarHBondContact NE-OG1 2.91Å; T168-N215 PolarHBondContact O-ND2 3.18Å
169	P	98.1	Very high	97.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-74.8	154.8	20.7	-15.9	31.9	0	0	0	115.5	V108 T109 L117 I121 N125 T137	V108-P169 HydrophobicContact CG1-CB 3.5Å; V108-P169 HydrophobicContact CG1-CG 4.08Å; T109-P169 CarbonylContact O-C 3.6Å; T109-P169 WeakPolarHBondContact O-CA 3.32Å; L117-P169 HydrophobicContact CD1-CG 3.93Å; L117-P169 HydrophobicContact CD2-CG 3.83Å; I121-P169 VanDerWaalsContact CG2-CD 3.5Å; I121-P169 HydrophobicContact CG2-CG 4.25Å; N125-P169 PolarHBondContact OD1-O 2.85Å; T137-P169 WeakPolarHBondContact CB-O 3.43Å; T137-P169 PolarHBondContact N-O 3.48Å; T137-P169 PolarHBondContact OG1-O 2.83Å
170	Q	98.3	Very high	97.2	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	130.5	162.1	-73.8	176.8	-22	0	0	107.1	T109 V135 D136 F172 D194 C196	T109-Q170 PolarHBondContact N-O 3.37Å; T109-Q170 PolarHBondContact O-N 3.12Å; T109-Q170 PolarHBondContact OG1-O 3.46Å; V135-Q170 WeakPolarHBondContact O-CA 3.49Å; D136-Q170 VanDerWaalsContact OD1-CG 3.27Å; D136-Q170 WeakPolarHBondContact OD1-CG 3.44Å; D136-Q170 PolarHBondContact OD1-NE2 3.49Å; Q170-F172 HydrophobicContact CB-CE2 3.69Å; Q170-F172 HydrophobicContact CB-CZ 3.74Å; Q170-D194 VanDerWaalsContact NE2-CG 3.25Å; Q170-D194 PolarHBondContact NE2-OD1 2.86Å; Q170-D194 PolarHBondContact NE2-OD2 3.34Å; Q170-D194 PolarHBondContact OE1-OD1 3.5Å; Q170-C196 VanDerWaalsContact CD-SG 3.54Å
171	S	98.6	Very high	97.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.2	-167.6	-52.2	0	0	0	0	111.2	I107 N125 A134 V135	I107-S171 CarbonylContact O-C 3.58Å; I107-S171 VanDerWaalsContact O-CA 3.27Å; I107-S171 WeakPolarHBondContact O-CA 3.48Å; N125-S171 VanDerWaalsContact CB-OG 3.27Å; N125-S171 WeakPolarHBondContact CB-OG 3.37Å; N125-S171 PolarHBondContact OD1-OG 2.99Å; A134-S171 CarbonylContact C-O 3.5Å; A134-S171 WeakPolarHBondContact CA-O 3.4Å; V135-S171 PolarHBondContact N-O 3.38Å; V135-S171 PolarHBondContact O-N 2.95Å
172	F	98.6	Very high	97.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	139.9	-172.1	-49.7	-81.7	0	0	0	110.6	V106 I107 G133 A134 Q170 I174 L177 A195 C196 I199	V106-F172 CarbonylContact C-O 3.45Å; V106-F172 VanDerWaalsContact CA-O 3.31Å; V106-F172 WeakPolarHBondContact CA-O 3.31Å; I107-F172 HydrophobicContact CG2-CB 4.21Å; I107-F172 HydrophobicContact CG2-CD2 4.47Å; I107-F172 PolarHBondContact N-O 2.77Å; I107-F172 PolarHBondContact O-N 2.97Å; G133-F172 CarbonylContact O-C 3.54Å; G133-F172 VanDerWaalsContact O-CA 3.31Å; G133-F172 WeakPolarHBondContact O-CA 3.37Å; A134-F172 HydrophobicContact CB-CD1 3.96Å; A134-F172 HydrophobicContact CB-CE1 4.41Å; Q170-F172 HydrophobicContact CB-CE2 3.69Å; Q170-F172 HydrophobicContact CB-CZ 3.74Å; F172-I174 PolarHBondContact O-N 3.12Å; F172-L177 HydrophobicContact CB-CB 3.97Å; F172-L177 HydrophobicContact CB-CD2 4.17Å; F172-L177 HydrophobicContact CB-CG 4.5Å; F172-L177 HydrophobicContact CD1-CD1 4.34Å; F172-L177 HydrophobicContact CD2-CD2 4.04Å; F172-L177 HydrophobicContact CG-CB 4.43Å; F172-L177 HydrophobicContact CG-CD1 4.26Å; F172-L177 HydrophobicContact CG-CD2 4.17Å; F172-A195 HydrophobicContact CE2-CB 3.85Å; F172-A195 HydrophobicContact CZ-CB 3.7Å; F172-C196 VanDerWaalsContact CZ-SG 3.56Å; F172-I199 HydrophobicContact CD1-CD1 4.37Å; F172-I199 HydrophobicContact CD1-CG1 3.92Å; F172-I199 HydrophobicContact CE1-CG1 3.9Å
173	N	98.4	Very high	97	Very high	27 Å²	27	38.1 Å²	38.1	14%	0.144	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	127.8	152.1	177.4	-74.1	0	0	0	108.3	D103 D105 G133 N175 L176 L177	D103-N173 PolarHBondContact O-ND2 2.66Å; D105-N173 WeakPolarHBondContact O-CA 3.19Å; G133-N173 PolarHBondContact O-N 2.74Å; N173-N175 PolarHBondContact OD1-N 2.99Å; N173-N175 VanDerWaalsContact OD1-N 3.12Å; N173-L176 HydrophobicContact CB-CB 3.86Å; N173-L176 HydrophobicContact CB-CD2 4.49Å; N173-L176 PolarHBondContact O-N 3.28Å; N173-L176 PolarHBondContact OD1-N 3Å; N173-L177 PolarHBondContact O-N 3.5Å
174	I	98.3	Very high	96.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.9	-42.8	-170.3	-66.7	-179	0	0	0	111	Y3 V92 I95 I101 D105 I107 F172 L177 K178	Y3-I174 HydrophobicContact CD2-CD1 3.7Å; Y3-I174 HydrophobicContact CE2-CD1 4.1Å; V92-I174 HydrophobicContact CG1-CG2 3.64Å; V92-I174 HydrophobicContact CG2-CG2 4.25Å; I95-I174 HydrophobicContact CD1-CD1 4.08Å; I95-I174 HydrophobicContact CG2-CD1 4.37Å; I101-I174 HydrophobicContact CD1-CG2 3.56Å; I101-I174 HydrophobicContact CG1-CG2 4.08Å; I101-I174 HydrophobicContact CG2-CB 4.14Å; I101-I174 HydrophobicContact CG2-CG2 3.96Å; D105-I174 HydrophobicContact CB-CD1 4.07Å; D105-I174 HydrophobicContact CB-CG1 4.48Å; D105-I174 PolarHBondContact O-N 2.73Å; I107-I174 HydrophobicContact CB-CD1 4.15Å; I107-I174 HydrophobicContact CB-CG1 3.92Å; I107-I174 HydrophobicContact CG2-CG1 3.86Å; F172-I174 PolarHBondContact O-N 3.12Å; I174-L177 PolarHBondContact O-N 3.22Å; I174-K178 HydrophobicContact CG2-CD 3.89Å; I174-K178 HydrophobicContact CG2-CG 4.34Å; I174-K178 VanDerWaalsContact O-CG 3.31Å; I174-K178 WeakPolarHBondContact O-CG 3.25Å; I174-K178 PolarHBondContact O-N 3.13Å
175	N	97.5	Very high	96.5	Very high	32 Å²	32	33.5 Å²	33.5	17%	0.171	19%	0.189	C	C	.	.	H	α-helix	trans	-64.2	-46.2	178.6	-76.4	-18.1	0	0	0	111	I101 D103 N173 L177 K178 E179	I101-N175 VanDerWaalsContact CG2-OD1 3.27Å; I101-N175 WeakPolarHBondContact CG2-OD1 3.42Å; D103-N175 PolarHBondContact OD1-ND2 2.84Å; D103-N175 VanDerWaalsContact OD1-ND2 3.13Å; N173-N175 PolarHBondContact OD1-N 2.99Å; N173-N175 VanDerWaalsContact OD1-N 3.12Å; N175-L177 VanDerWaalsContact C-N 3.3Å; N175-L177 PolarHBondContact O-N 3.2Å; N175-K178 PolarHBondContact O-N 3.25Å; N175-E179 WeakPolarHBondContact O-CB 3.35Å; N175-E179 VanDerWaalsContact O-CG 3.27Å; N175-E179 WeakPolarHBondContact O-CG 3.49Å; N175-E179 PolarHBondContact O-N 2.94Å
176	L	97.6	Very high	96.2	Very high	29 Å²	29	35.5 Å²	35.5	15%	0.152	20%	0.202	C	C	.	.	H	α-helix	trans	-53.3	-46.9	173.7	172.6	60.1	0	0	0	112	G133 A134 N173 S180 I199 K204	G133-L176 WeakPolarHBondContact O-CD2 3.47Å; A134-L176 HydrophobicContact CB-CD2 4.08Å; N173-L176 HydrophobicContact CB-CB 3.86Å; N173-L176 HydrophobicContact CB-CD2 4.49Å; N173-L176 PolarHBondContact O-N 3.28Å; N173-L176 PolarHBondContact OD1-N 3Å; L176-S180 VanDerWaalsContact O-CB 3.25Å; L176-S180 WeakPolarHBondContact O-CB 3.41Å; L176-S180 PolarHBondContact O-N 3.06Å; L176-S180 PolarHBondContact O-OG 3.16Å; L176-I199 HydrophobicContact CG-CD1 4.19Å; L176-K204 HydrophobicContact CD1-CD 3.25Å
177	L	97.7	Very high	95.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.6	-47.5	179.7	-179.8	63.8	0	0	0	112	I88 M89 V92 I107 F172 N173 I174 N175 S180 Y181 I198 I199	I88-L177 HydrophobicContact CG2-CD2 3.77Å; M89-L177 HydrophobicContact CE-CD1 4.3Å; M89-L177 HydrophobicContact CE-CD2 3.61Å; M89-L177 HydrophobicContact CE-CG 3.66Å; V92-L177 HydrophobicContact CG2-CD2 4.43Å; I107-L177 HydrophobicContact CG2-CD2 4.36Å; F172-L177 HydrophobicContact CB-CB 3.97Å; F172-L177 HydrophobicContact CB-CD2 4.17Å; F172-L177 HydrophobicContact CB-CG 4.5Å; F172-L177 HydrophobicContact CD1-CD1 4.34Å; F172-L177 HydrophobicContact CD2-CD2 4.04Å; F172-L177 HydrophobicContact CG-CB 4.43Å; F172-L177 HydrophobicContact CG-CD1 4.26Å; F172-L177 HydrophobicContact CG-CD2 4.17Å; N173-L177 PolarHBondContact O-N 3.5Å; I174-L177 PolarHBondContact O-N 3.22Å; N175-L177 VanDerWaalsContact C-N 3.3Å; N175-L177 PolarHBondContact O-N 3.2Å; L177-S180 PolarHBondContact O-N 3.31Å; L177-Y181 WeakPolarHBondContact O-CB 3.38Å; L177-Y181 PolarHBondContact O-N 3.46Å; L177-I198 HydrophobicContact CD1-CB 4.49Å; L177-I198 HydrophobicContact CD1-CD1 4.12Å; L177-I198 HydrophobicContact CD1-CG2 4.36Å; L177-I199 HydrophobicContact CD1-CD1 4.02Å
178	K	96.1	Very high	95.5	Very high	52 Å²	52	43.1 Å²	43.1	23%	0.226	23%	0.225	C	C	.	.	H	α-helix	trans	-60	-50.5	179.3	-73.4	171.3	71	-175.2	0	111.8	V92 E96 I101 I174 N175 S180 Y181 A182	V92-K178 HydrophobicContact CG1-CD 3.52Å; V92-K178 HydrophobicContact CG1-CG 3.54Å; E96-K178 IonicContact OE1-NZ 3.99Å; E96-K178 PolarHBondContact OE1-NZ 3.11Å; E96-K178 IonicContact OE2-NZ 2.77Å; E96-K178 PolarHBondContact OE2-NZ 3.24Å; I101-K178 HydrophobicContact CD1-CD 3.89Å; I174-K178 HydrophobicContact CG2-CD 3.89Å; I174-K178 HydrophobicContact CG2-CG 4.34Å; I174-K178 VanDerWaalsContact O-CG 3.31Å; I174-K178 WeakPolarHBondContact O-CG 3.25Å; I174-K178 PolarHBondContact O-N 3.13Å; N175-K178 PolarHBondContact O-N 3.25Å; K178-S180 VanDerWaalsContact C-N 3.32Å; K178-S180 PolarHBondContact O-N 3.31Å; K178-Y181 PolarHBondContact O-N 3.33Å; K178-A182 WeakPolarHBondContact O-CB 3.18Å; K178-A182 PolarHBondContact O-N 2.82Å
179	E	96.2	Very high	95.1	Very high	106 Å²	106	45.6 Å²	45.6	50%	0.495	24%	0.236	S	C	.	.	H	α-helix	trans	-61.5	-43.7	-179.8	-71.7	172.2	-171.3	0	0	111.1	N175 A182 Q183	N175-E179 WeakPolarHBondContact O-CB 3.35Å; N175-E179 VanDerWaalsContact O-CG 3.27Å; N175-E179 WeakPolarHBondContact O-CG 3.49Å; N175-E179 PolarHBondContact O-N 2.94Å; E179-A182 PolarHBondContact O-N 3.4Å; E179-Q183 VanDerWaalsContact O-CG 3.31Å; E179-Q183 WeakPolarHBondContact O-CG 3.4Å; E179-Q183 PolarHBondContact O-N 2.91Å; E179-Q183 VanDerWaalsContact O-N 3.12Å
180	S	96.5	Very high	94.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66	-42.1	179.6	-52.5	0	0	0	0	110.9	L176 L177 K178 A182 Q183 T202 K204	L176-S180 VanDerWaalsContact O-CB 3.25Å; L176-S180 WeakPolarHBondContact O-CB 3.41Å; L176-S180 PolarHBondContact O-N 3.06Å; L176-S180 PolarHBondContact O-OG 3.16Å; L177-S180 PolarHBondContact O-N 3.31Å; K178-S180 VanDerWaalsContact C-N 3.32Å; K178-S180 PolarHBondContact O-N 3.31Å; S180-A182 VanDerWaalsContact C-N 3.34Å; S180-A182 PolarHBondContact O-N 3.27Å; S180-Q183 PolarHBondContact O-N 2.98Å; S180-T202 WeakPolarHBondContact CB-OG1 3.29Å; S180-T202 WeakPolarHBondContact O-CG2 3.41Å; S180-T202 PolarHBondContact OG-OG1 3.4Å; S180-K204 PolarHBondContact OG-NZ 2.91Å
181	Y	95.2	Very high	93.8	Very high	49 Å²	49	54.5 Å²	54.5	19%	0.192	29%	0.29	C	S	.	.	H	α-helix	trans	-63.2	-37.9	175	-171	-103.9	0	0	0	112.9	N85 M89 L177 K178 Q183 L184 K189 L192 I198	N85-Y181 HydrophobicContact CB-CE2 4.36Å; M89-Y181 HydrophobicContact CG-CD1 3.88Å; M89-Y181 HydrophobicContact CG-CE1 3.82Å; M89-Y181 HydrophobicContact CG-CE2 4.48Å; M89-Y181 HydrophobicContact CG-CG 4.23Å; M89-Y181 HydrophobicContact SD-CD1 3.78Å; M89-Y181 HydrophobicContact SD-CE1 4.34Å; M89-Y181 HydrophobicContact SD-CG 3.9Å; L177-Y181 WeakPolarHBondContact O-CB 3.38Å; L177-Y181 PolarHBondContact O-N 3.46Å; K178-Y181 PolarHBondContact O-N 3.33Å; Y181-Q183 VanDerWaalsContact C-N 3.3Å; Y181-Q183 PolarHBondContact O-N 3.32Å; Y181-L184 PolarHBondContact O-N 2.78Å; Y181-K189 HydrophobicContact CE1-CD 4.42Å; Y181-K189 HydrophobicContact CE2-CD 4.32Å; Y181-K189 HydrophobicContact CE2-CG 4.1Å; Y181-K189 WeakPolarHBondContact O-CE 3.39Å; Y181-L192 HydrophobicContact CE2-CD1 4.24Å; Y181-I198 HydrophobicContact CD2-CD1 3.77Å; Y181-I198 HydrophobicContact CD2-CG1 4.13Å; Y181-I198 HydrophobicContact CD2-CG2 4.23Å; Y181-I198 HydrophobicContact CE2-CD1 4.38Å
182	A	94.3	Very high	93.2	Very high	76 Å²	76	55.5 Å²	55.5	63%	0.628	30%	0.295	S	S	*	.	H	α-helix	trans	-68.2	-27.6	178.2	0	0	0	0	0	113.3	K178 E179 S180 L184	K178-A182 WeakPolarHBondContact O-CB 3.18Å; K178-A182 PolarHBondContact O-N 2.82Å; E179-A182 PolarHBondContact O-N 3.4Å; S180-A182 VanDerWaalsContact C-N 3.34Å; S180-A182 PolarHBondContact O-N 3.27Å; A182-L184 VanDerWaalsContact C-N 3.33Å
183	Q	94.8	Very high	92.3	Very high	121 Å²	121	60.2 Å²	60.2	57%	0.565	33%	0.328	S	S	*	.	H	α-helix	trans	-76.4	-17.3	177.9	-72.6	173.4	24.9	0	0	113.9	E179 S180 Y181 T202	E179-Q183 VanDerWaalsContact O-CG 3.31Å; E179-Q183 WeakPolarHBondContact O-CG 3.4Å; E179-Q183 PolarHBondContact O-N 2.91Å; E179-Q183 VanDerWaalsContact O-N 3.12Å; S180-Q183 PolarHBondContact O-N 2.98Å; Y181-Q183 VanDerWaalsContact C-N 3.3Å; Y181-Q183 PolarHBondContact O-N 3.32Å; Q183-T202 HydrophobicContact CB-CG2 4.15Å
184	L	92.8	Very high	91.7	Very high	8 Å²	8	61 Å²	61	4%	0.042	33%	0.332	C	S	.	.	S	Bend	trans	-78.4	137.5	-179.5	-59.6	-178.6	0	0	0	111.9	Y181 A182 Q188 K189 L192 I198 E201 T202	Y181-L184 PolarHBondContact O-N 2.78Å; A182-L184 VanDerWaalsContact C-N 3.33Å; L184-Q188 HydrophobicContact CB-CB 4.04Å; L184-Q188 HydrophobicContact CD2-CB 4.24Å; L184-K189 HydrophobicContact CB-CG 3.9Å; L184-K189 WeakPolarHBondContact O-CE 3.12Å; L184-K189 PolarHBondContact O-NZ 3.39Å; L184-L192 HydrophobicContact CD1-CD1 3.84Å; L184-L192 HydrophobicContact CD1-CD2 4.21Å; L184-L192 HydrophobicContact CD1-CG 4.48Å; L184-I198 HydrophobicContact CD1-CB 4.39Å; L184-I198 HydrophobicContact CD1-CG1 4.42Å; L184-I198 HydrophobicContact CD1-CG2 4.02Å; L184-E201 HydrophobicContact CD2-CB 3.73Å; L184-T202 HydrophobicContact CD2-CG2 3.87Å; L184-T202 HydrophobicContact CG-CG2 4.45Å
185	S	91.5	Very high	91.2	Very high	54 Å²	54	61 Å²	61	38%	0.378	33%	0.332	S	S	.	.			trans	-65.1	161.6	166.6	62.6	0	0	0	0	111.8	E187 Q188 K189	S185-E187 PolarHBondContact O-N 3.36Å; S185-Q188 PolarHBondContact O-N 3.43Å; S185-Q188 WeakPolarHBondContact OG-CG 3.48Å; S185-Q188 PolarHBondContact OG-N 2.89Å; S185-Q188 PolarHBondContact OG-OE1 2.84Å; S185-K189 WeakPolarHBondContact O-CG 3.3Å; S185-K189 PolarHBondContact O-N 2.99Å
186	D	89.4	Confident	91.1	Very high	132 Å²	132	59.8 Å²	59.8	71%	0.706	33%	0.326	S	S	*	.	H	α-helix	trans	-61.9	-33.3	176.7	-65.9	-23.5	0	0	0	112	K189 S190	D186-K189 PolarHBondContact O-N 3.03Å; D186-S190 WeakPolarHBondContact O-CB 3.5Å; D186-S190 PolarHBondContact O-N 3.42Å
187	E	89	Confident	90.8	Very high	158 Å²	158	61.3 Å²	61.3	74%	0.738	33%	0.331	S	S	*	.	H	α-helix	trans	-63.1	-49.2	173.5	-175	176.5	-174.5	0	0	111.3	S185 K189 S190	S185-E187 PolarHBondContact O-N 3.36Å; E187-K189 VanDerWaalsContact C-N 3.31Å; E187-K189 PolarHBondContact O-N 3.26Å; E187-S190 PolarHBondContact O-N 3.07Å; E187-S190 PolarHBondContact O-OG 3.23Å
188	Q	88.9	Confident	90.7	Very high	58 Å²	58	61.4 Å²	61.4	27%	0.271	33%	0.332	S	S	.	.	H	α-helix	trans	-59.8	-43.4	175.7	-75.2	169.1	-61.3	0	0	111.4	L184 S185 S190 I191 L192	L184-Q188 HydrophobicContact CB-CB 4.04Å; L184-Q188 HydrophobicContact CD2-CB 4.24Å; S185-Q188 PolarHBondContact O-N 3.43Å; S185-Q188 WeakPolarHBondContact OG-CG 3.48Å; S185-Q188 PolarHBondContact OG-N 2.89Å; S185-Q188 PolarHBondContact OG-OE1 2.84Å; Q188-S190 VanDerWaalsContact C-N 3.28Å; Q188-S190 PolarHBondContact O-N 3.23Å; Q188-I191 VanDerWaalsContact O-CG1 3.25Å; Q188-I191 WeakPolarHBondContact O-CG1 3.41Å; Q188-I191 PolarHBondContact O-N 3.12Å; Q188-L192 WeakPolarHBondContact O-CG 3.29Å
189	K	88.6	Confident	90.7	Very high	54 Å²	54	58.9 Å²	58.9	24%	0.235	32%	0.321	C	S	.	.	H	α-helix	trans	-60.6	-37.4	177.6	-72.4	170	-177.8	153.5	0	112.3	Y181 L184 S185 D186 E187 I191 L192	Y181-K189 HydrophobicContact CE1-CD 4.42Å; Y181-K189 HydrophobicContact CE2-CD 4.32Å; Y181-K189 HydrophobicContact CE2-CG 4.1Å; Y181-K189 WeakPolarHBondContact O-CE 3.39Å; L184-K189 HydrophobicContact CB-CG 3.9Å; L184-K189 WeakPolarHBondContact O-CE 3.12Å; L184-K189 PolarHBondContact O-NZ 3.39Å; S185-K189 WeakPolarHBondContact O-CG 3.3Å; S185-K189 PolarHBondContact O-N 2.99Å; D186-K189 PolarHBondContact O-N 3.03Å; E187-K189 VanDerWaalsContact C-N 3.31Å; E187-K189 PolarHBondContact O-N 3.26Å; K189-I191 PolarHBondContact O-N 3.16Å; K189-L192 HydrophobicContact CB-CD1 4.45Å; K189-L192 HydrophobicContact CG-CD1 4.41Å; K189-L192 PolarHBondContact O-N 3.18Å
190	S	85	Confident	90.6	Very high	91 Å²	91	57.8 Å²	57.8	64%	0.636	32%	0.321	S	S	*	.	H	α-helix	trans	-65.4	-23.5	-177.5	78.3	0	0	0	0	114.5	D186 E187 Q188	D186-S190 WeakPolarHBondContact O-CB 3.5Å; D186-S190 PolarHBondContact O-N 3.42Å; E187-S190 PolarHBondContact O-N 3.07Å; E187-S190 PolarHBondContact O-OG 3.23Å; Q188-S190 VanDerWaalsContact C-N 3.28Å; Q188-S190 PolarHBondContact O-N 3.23Å
191	I	84.7	Confident	90.4	Very high	98 Å²	98	61.2 Å²	61.2	50%	0.503	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	12	-178.9	64.1	165.9	0	0	0	113.2	Q188 K189 S193 K197	Q188-I191 VanDerWaalsContact O-CG1 3.25Å; Q188-I191 WeakPolarHBondContact O-CG1 3.41Å; Q188-I191 PolarHBondContact O-N 3.12Å; K189-I191 PolarHBondContact O-N 3.16Å; I191-S193 PolarHBondContact O-N 3.35Å; I191-K197 PolarHBondContact O-NZ 3Å
192	L	85.6	Confident	90.3	Very high	20 Å²	20	59.7 Å²	59.7	11%	0.105	33%	0.333	C	S	.	.			trans	-80.6	111.9	177.1	-64.2	173.3	0	0	0	110.9	N85 Y181 L184 Q188 K189 K197 I198	N85-L192 WeakPolarHBondContact ND2-CB 3.4Å; N85-L192 PolarHBondContact ND2-O 3.37Å; Y181-L192 HydrophobicContact CE2-CD1 4.24Å; L184-L192 HydrophobicContact CD1-CD1 3.84Å; L184-L192 HydrophobicContact CD1-CD2 4.21Å; L184-L192 HydrophobicContact CD1-CG 4.48Å; Q188-L192 WeakPolarHBondContact O-CG 3.29Å; K189-L192 HydrophobicContact CB-CD1 4.45Å; K189-L192 HydrophobicContact CG-CD1 4.41Å; K189-L192 PolarHBondContact O-N 3.18Å; L192-K197 HydrophobicContact CD2-CB 4.04Å; L192-K197 HydrophobicContact CD2-CD 4.01Å; L192-K197 HydrophobicContact CD2-CG 3.77Å; L192-I198 HydrophobicContact CD1-CD1 4.33Å; L192-I198 HydrophobicContact CD1-CG1 3.57Å; L192-I198 HydrophobicContact CD2-CG1 4.19Å; L192-I198 HydrophobicContact CG-CG1 4.46Å
193	S	80.3	Confident	90.3	Very high	100 Å²	100	63.8 Å²	63.8	70%	0.699	34%	0.344	S	S	*	.			trans	-96.5	-12.2	171.7	57.4	0	0	0	0	113.7	I191	I191-S193 PolarHBondContact O-N 3.35Å
194	D	85.1	Confident	90.3	Very high	44 Å²	44	60.6 Å²	60.6	24%	0.235	33%	0.328	C	S	.	.	S	Bend	trans	-144	148.7	-169	-167.2	-77.8	0	0	0	110.2	Q170 C196 K197	Q170-D194 VanDerWaalsContact NE2-CG 3.25Å; Q170-D194 PolarHBondContact NE2-OD1 2.86Å; Q170-D194 PolarHBondContact NE2-OD2 3.34Å; Q170-D194 PolarHBondContact OE1-OD1 3.5Å; D194-C196 WeakPolarHBondContact OD1-CA 3.34Å; D194-C196 VanDerWaalsContact OD1-CB 3.28Å; D194-C196 WeakPolarHBondContact OD1-CB 3.25Å; D194-C196 PolarHBondContact OD1-N 3.06Å; D194-K197 HydrophobicContact CB-CB 4.25Å; D194-K197 WeakPolarHBondContact O-CB 3.46Å; D194-K197 PolarHBondContact O-N 2.77Å
195	A	89.1	Confident	90.5	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-81	-31.7	-177.2	0	0	0	0	0	112	R84 I88 F172 K197 I198	R84-A195 VanDerWaalsContact NH1-CB 3.34Å; I88-A195 HydrophobicContact CD1-CB 3.57Å; F172-A195 HydrophobicContact CE2-CB 3.85Å; F172-A195 HydrophobicContact CZ-CB 3.7Å; A195-K197 PolarHBondContact O-N 2.9Å; A195-I198 HydrophobicContact CB-CD1 4.46Å; A195-I198 VanDerWaalsContact O-CB 3.25Å; A195-I198 WeakPolarHBondContact O-CB 3.43Å; A195-I198 PolarHBondContact O-N 2.9Å; A195-I198 VanDerWaalsContact O-N 3.1Å
196	C	94.2	Very high	90.9	Very high	6 Å²	6	64.1 Å²	64.1	4%	0.041	35%	0.35	C	S	.	.	H	α-helix	trans	-63.5	-29.9	171.4	-67.2	0	0	0	0	111.1	D136 Q170 F172 D194 I198 I199 V200 V206	D136-C196 HydrophobicContact CB-CB 4.48Å; Q170-C196 VanDerWaalsContact CD-SG 3.54Å; F172-C196 VanDerWaalsContact CZ-SG 3.56Å; D194-C196 WeakPolarHBondContact OD1-CA 3.34Å; D194-C196 VanDerWaalsContact OD1-CB 3.28Å; D194-C196 WeakPolarHBondContact OD1-CB 3.25Å; D194-C196 PolarHBondContact OD1-N 3.06Å; C196-I198 PolarHBondContact O-N 3.15Å; C196-I199 PolarHBondContact O-N 3.47Å; C196-V200 WeakPolarHBondContact O-CG2 3.35Å; C196-V200 PolarHBondContact O-N 3.2Å; C196-V206 HydrophobicContact CB-CG1 4.09Å; C196-V206 HydrophobicContact CB-CG2 4.38Å
197	K	92.8	Very high	91.3	Very high	61 Å²	61	64.3 Å²	64.3	27%	0.265	34%	0.341	S	S	.	.	H	α-helix	trans	-59	-33.4	173.5	-170.6	173.9	175.1	-175.8	0	112.1	I191 L192 D194 A195 I199 V200 E201	I191-K197 PolarHBondContact O-NZ 3Å; L192-K197 HydrophobicContact CD2-CB 4.04Å; L192-K197 HydrophobicContact CD2-CD 4.01Å; L192-K197 HydrophobicContact CD2-CG 3.77Å; D194-K197 HydrophobicContact CB-CB 4.25Å; D194-K197 WeakPolarHBondContact O-CB 3.46Å; D194-K197 PolarHBondContact O-N 2.77Å; A195-K197 PolarHBondContact O-N 2.9Å; K197-I199 VanDerWaalsContact C-N 3.26Å; K197-I199 PolarHBondContact O-N 3.07Å; K197-V200 PolarHBondContact O-N 2.93Å; K197-E201 WeakPolarHBondContact CE-OE1 3.33Å; K197-E201 HydrophobicContact CG-CG 3.85Å; K197-E201 IonicContact NZ-OE1 3.02Å; K197-E201 WeakPolarHBondContact O-CB 3.39Å; K197-E201 WeakPolarHBondContact O-CG 3.47Å; K197-E201 PolarHBondContact O-N 2.81Å
198	I	93.8	Very high	91.7	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-56	-45.2	174.6	-62.6	163.3	0	0	0	110.7	N85 L177 Y181 L184 L192 A195 C196	N85-I198 HydrophobicContact CB-CD1 4.31Å; L177-I198 HydrophobicContact CD1-CB 4.49Å; L177-I198 HydrophobicContact CD1-CD1 4.12Å; L177-I198 HydrophobicContact CD1-CG2 4.36Å; Y181-I198 HydrophobicContact CD2-CD1 3.77Å; Y181-I198 HydrophobicContact CD2-CG1 4.13Å; Y181-I198 HydrophobicContact CD2-CG2 4.23Å; Y181-I198 HydrophobicContact CE2-CD1 4.38Å; L184-I198 HydrophobicContact CD1-CB 4.39Å; L184-I198 HydrophobicContact CD1-CG1 4.42Å; L184-I198 HydrophobicContact CD1-CG2 4.02Å; L192-I198 HydrophobicContact CD1-CD1 4.33Å; L192-I198 HydrophobicContact CD1-CG1 3.57Å; L192-I198 HydrophobicContact CD2-CG1 4.19Å; L192-I198 HydrophobicContact CG-CG1 4.46Å; A195-I198 HydrophobicContact CB-CD1 4.46Å; A195-I198 VanDerWaalsContact O-CB 3.25Å; A195-I198 WeakPolarHBondContact O-CB 3.43Å; A195-I198 PolarHBondContact O-N 2.9Å; A195-I198 VanDerWaalsContact O-N 3.1Å; C196-I198 PolarHBondContact O-N 3.15Å
199	I	96.3	Very high	92.2	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-71.4	-45.8	-177.3	-53	-54.1	0	0	0	110.6	A134 F172 L176 L177 C196 K197 E201 T202 K204 V206	A134-I199 HydrophobicContact CB-CB 4.47Å; A134-I199 HydrophobicContact CB-CG1 4.1Å; A134-I199 HydrophobicContact CB-CG2 3.94Å; F172-I199 HydrophobicContact CD1-CD1 4.37Å; F172-I199 HydrophobicContact CD1-CG1 3.92Å; F172-I199 HydrophobicContact CE1-CG1 3.9Å; L176-I199 HydrophobicContact CG-CD1 4.19Å; L177-I199 HydrophobicContact CD1-CD1 4.02Å; C196-I199 PolarHBondContact O-N 3.47Å; K197-I199 VanDerWaalsContact C-N 3.26Å; K197-I199 PolarHBondContact O-N 3.07Å; I199-E201 PolarHBondContact O-N 3.37Å; I199-T202 PolarHBondContact O-N 3.33Å; I199-T202 PolarHBondContact O-OG1 3.12Å; I199-K204 HydrophobicContact CG2-CB 3.64Å; I199-K204 PolarHBondContact O-N 3.4Å; I199-V206 HydrophobicContact CB-CG2 3.76Å; I199-V206 HydrophobicContact CG2-CG2 3.74Å
200	V	94.6	Very high	92.6	Very high	83 Å²	83	60 Å²	60	50%	0.503	32%	0.323	S	S	.	.	H	α-helix	trans	-61.4	-42.4	-179.7	175.1	0	0	0	0	111.8	C196 K197 T202 N203 V206	C196-V200 WeakPolarHBondContact O-CG2 3.35Å; C196-V200 PolarHBondContact O-N 3.2Å; K197-V200 PolarHBondContact O-N 2.93Å; V200-T202 PolarHBondContact O-N 3.43Å; V200-T202 VanDerWaalsContact O-N 3.13Å; V200-N203 PolarHBondContact O-N 3.27Å; V200-V206 HydrophobicContact CG2-CG2 3.79Å
201	E	92.2	Very high	93.3	Very high	72 Å²	72	56 Å²	56	34%	0.336	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-16.8	177.5	-68.3	-75.3	169.9	0	0	112.9	L184 K197 I199	L184-E201 HydrophobicContact CD2-CB 3.73Å; K197-E201 WeakPolarHBondContact CE-OE1 3.33Å; K197-E201 HydrophobicContact CG-CG 3.85Å; K197-E201 IonicContact NZ-OE1 3.02Å; K197-E201 WeakPolarHBondContact O-CB 3.39Å; K197-E201 WeakPolarHBondContact O-CG 3.47Å; K197-E201 PolarHBondContact O-N 2.81Å; I199-E201 PolarHBondContact O-N 3.37Å
202	T	93.2	Very high	93.8	Very high	17 Å²	17	54 Å²	54	10%	0.104	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	16	172.7	65.2	0	0	0	0	113.7	S180 Q183 L184 I199 V200 K204	S180-T202 WeakPolarHBondContact CB-OG1 3.29Å; S180-T202 WeakPolarHBondContact O-CG2 3.41Å; S180-T202 PolarHBondContact OG-OG1 3.4Å; Q183-T202 HydrophobicContact CB-CG2 4.15Å; L184-T202 HydrophobicContact CD2-CG2 3.87Å; L184-T202 HydrophobicContact CG-CG2 4.45Å; I199-T202 PolarHBondContact O-N 3.33Å; I199-T202 PolarHBondContact O-OG1 3.12Å; V200-T202 PolarHBondContact O-N 3.43Å; V200-T202 VanDerWaalsContact O-N 3.13Å; T202-K204 VanDerWaalsContact C-N 3.26Å; T202-K204 PolarHBondContact O-N 2.89Å
203	N	94.4	Very high	94.2	Very high	161 Å²	161	58.3 Å²	58.3	86%	0.861	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	31.3	178.9	-60.1	-62.6	0	0	0	114.4	V200	V200-N203 PolarHBondContact O-N 3.27Å
204	K	95.8	Very high	94.9	Very high	54 Å²	54	55.7 Å²	55.7	24%	0.235	28%	0.283	C	S	.	.			trans	-106.2	144.9	176.1	-64	179.9	-164.6	161.6	0	110.4	L176 S180 I199 T202	L176-K204 HydrophobicContact CD1-CD 3.25Å; S180-K204 PolarHBondContact OG-NZ 2.91Å; I199-K204 HydrophobicContact CG2-CB 3.64Å; I199-K204 PolarHBondContact O-N 3.4Å; T202-K204 VanDerWaalsContact C-N 3.26Å; T202-K204 PolarHBondContact O-N 2.89Å
205	P	96.9	Very high	95.4	Very high	104 Å²	104	53.6 Å²	53.6	68%	0.675	27%	0.272	S	S	*	.			trans	-69.7	146.2	-177.2	29.3	-34.8	0	0	0	111.4
206	V	98	Very high	95.7	Very high	33 Å²	33	55.4 Å²	55.4	20%	0.2	28%	0.281	C	S	.	.			trans	-120.1	121.8	168.3	180	0	0	0	0	107.7	A134 D136 C196 I199 V200	A134-V206 HydrophobicContact CB-CG1 4.5Å; A134-V206 HydrophobicContact CB-CG2 4.1Å; D136-V206 HydrophobicContact CB-CG1 3.95Å; C196-V206 HydrophobicContact CB-CG1 4.09Å; C196-V206 HydrophobicContact CB-CG2 4.38Å; I199-V206 HydrophobicContact CB-CG2 3.76Å; I199-V206 HydrophobicContact CG2-CG2 3.74Å; V200-V206 HydrophobicContact CG2-CG2 3.79Å
207	R	98.4	Very high	95.8	Very high	136 Å²	136	58.2 Å²	58.2	51%	0.513	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	143.4	-179.6	-172	64.1	179.8	177.8	-2.4	110.6	Y132 A134 V135 D136	Y132-R207 HydrophobicContact CD2-CB 4.07Å; Y132-R207 HydrophobicContact CD2-CG 3.76Å; Y132-R207 HydrophobicContact CE2-CG 4.11Å; Y132-R207 HydrophobicContact CG-CB 4.13Å; Y132-R207 HydrophobicContact CG-CG 4.2Å; A134-R207 PolarHBondContact O-N 2.95Å; V135-R207 CarbonylContact C-O 3.58Å; V135-R207 VanDerWaalsContact CA-O 3.23Å; V135-R207 WeakPolarHBondContact CA-O 3.36Å; V135-R207 HydrophobicContact CG2-CB 4.48Å; D136-R207 PolarHBondContact N-O 2.92Å
208	L	98.4	Very high	95.9	Very high	77 Å²	77	55.3 Å²	55.3	40%	0.403	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	133.2	175.1	-56.3	-178.3	0	0	0	110.7	D136 V138 Y164	D136-L208 HydrophobicContact CB-CD2 4.3Å; D136-L208 WeakPolarHBondContact O-CA 3.3Å; V138-L208 HydrophobicContact CG1-CD2 3.86Å; V138-L208 HydrophobicContact CG2-CB 3.99Å; V138-L208 HydrophobicContact CG2-CD1 4.21Å; V138-L208 HydrophobicContact CG2-CD2 4.18Å; V138-L208 HydrophobicContact CG2-CG 4.35Å; Y164-L208 HydrophobicContact CD2-CD1 4.02Å; Y164-L208 HydrophobicContact CE2-CD1 3.9Å; Y164-L208 HydrophobicContact CG-CD1 4.42Å
209	V	98.4	Very high	95.8	Very high	10 Å²	10	56.1 Å²	56.1	6%	0.061	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	140.3	167.1	162.8	0	0	0	0	108.9	E124 A128 V135 D136 T137 V138 G211	E124-V209 HydrophobicContact CB-CG1 3.85Å; E124-V209 HydrophobicContact CB-CG2 4.37Å; E124-V209 WeakPolarHBondContact OE2-CG1 3.26Å; A128-V209 HydrophobicContact CB-CG2 4.02Å; V135-V209 HydrophobicContact CG1-CB 3.95Å; V135-V209 HydrophobicContact CG1-CG2 3.47Å; V135-V209 VanDerWaalsContact CG1-CG2 3.47Å; D136-V209 PolarHBondContact O-N 3.26Å; T137-V209 CarbonylContact C-O 3.59Å; T137-V209 WeakPolarHBondContact CA-O 3.48Å; V138-V209 PolarHBondContact N-O 2.89Å; V209-G211 PolarHBondContact O-N 2.75Å
210	K	98.3	Very high	95.6	Very high	91 Å²	91	58 Å²	58	40%	0.396	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	117.4	-179.1	-71.9	-66.9	-172	172.1	0	111.2	R120 D140	R120-K210 PolarHBondContact NH1-O 2.99Å; R120-K210 VanDerWaalsContact NH1-O 3.16Å; R120-K210 PolarHBondContact NH2-O 3.24Å; R120-K210 VanDerWaalsContact NH2-O 3.09Å; D140-K210 IonicContact OD1-NZ 2.73Å; D140-K210 PolarHBondContact OD1-NZ 2.77Å; D140-K210 IonicContact OD2-NZ 2.66Å; D140-K210 PolarHBondContact OD2-NZ 3.09Å
211	G	97.8	Very high	95.5	Very high	9 Å²	9	57.2 Å²	57.2	9%	0.093	29%	0.293	C	S	.	.			trans	-79	-160.8	172.3	0	0	0	0	0	112.9	T137 V138 V209	T137-G211 VanDerWaalsContact CG2-CA 3.49Å; V138-G211 PolarHBondContact O-N 2.69Å; V209-G211 PolarHBondContact O-N 2.75Å
212	E	95.6	Very high	95.6	Very high	54 Å²	54	61.9 Å²	61.9	25%	0.252	31%	0.309	S	S	.	.			trans	-130.7	145.5	-179.8	-66.2	-66.6	169.4	0	0	109.8	T118 R120 I121 Q167 Y214 N215	T118-E212 HydrophobicContact CG2-CG 4.45Å; R120-E212 IonicContact CZ-OE1 3.81Å; R120-E212 IonicContact NE-OE1 2.91Å; R120-E212 IonicContact NH2-OE1 3.27Å; R120-E212 PolarHBondContact NH2-OE1 3.25Å; I121-E212 HydrophobicContact CD1-CB 4.28Å; I121-E212 HydrophobicContact CD1-CG 3.78Å; Q167-E212 PolarHBondContact NE2-O 3.1Å; Q167-E212 PolarHBondContact OE1-O 3.14Å; E212-Y214 HydrophobicContact CB-CD1 4.08Å; E212-Y214 HydrophobicContact CB-CD2 4.17Å; E212-Y214 HydrophobicContact CB-CE1 3.76Å; E212-Y214 HydrophobicContact CB-CE2 3.87Å; E212-Y214 HydrophobicContact CB-CG 4.29Å; E212-Y214 HydrophobicContact CG-CE1 3.97Å; E212-Y214 HydrophobicContact CG-CE2 4.12Å; E212-Y214 PolarHBondContact O-N 3.03Å; E212-N215 HydrophobicContact CB-CB 4.25Å; E212-N215 WeakPolarHBondContact O-CB 3.49Å; E212-N215 PolarHBondContact O-N 3.31Å; E212-N215 VanDerWaalsContact O-N 3.11Å
213	L	94.4	Very high	95.7	Very high	112 Å²	112	62.5 Å²	62.5	59%	0.586	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-35.2	178.5	-70.2	178.1	0	0	0	112.1	I139 I142 N215 I216	I139-L213 HydrophobicContact CD1-CD2 3.74Å; I142-L213 HydrophobicContact CD1-CD1 4.48Å; I142-L213 HydrophobicContact CD1-CD2 3.92Å; L213-N215 VanDerWaalsContact C-N 3.31Å; L213-N215 PolarHBondContact O-N 2.86Å; L213-I216 WeakPolarHBondContact O-CG2 3.35Å
214	Y	94.2	Very high	95.6	Very high	45 Å²	45	56.5 Å²	56.5	18%	0.176	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-6.6	180	58.3	-102.7	0	0	0	113.7	F116 T118 E212 I216 I235	F116-Y214 HydrophobicContact CB-CD2 3.83Å; F116-Y214 HydrophobicContact CB-CE2 4.48Å; F116-Y214 WeakPolarHBondContact CB-O 3.5Å; F116-Y214 VanDerWaalsContact CD2-O 3.25Å; F116-Y214 WeakPolarHBondContact CD2-O 3.36Å; F116-Y214 WeakPolarHBondContact O-CE2 3.5Å; T118-Y214 HydrophobicContact CG2-CE2 3.88Å; T118-Y214 WeakPolarHBondContact CG2-OH 3.43Å; E212-Y214 HydrophobicContact CB-CD1 4.08Å; E212-Y214 HydrophobicContact CB-CD2 4.17Å; E212-Y214 HydrophobicContact CB-CE1 3.76Å; E212-Y214 HydrophobicContact CB-CE2 3.87Å; E212-Y214 HydrophobicContact CB-CG 4.29Å; E212-Y214 HydrophobicContact CG-CE1 3.97Å; E212-Y214 HydrophobicContact CG-CE2 4.12Å; E212-Y214 PolarHBondContact O-N 3.03Å; Y214-I216 PolarHBondContact O-N 3.3Å; Y214-I235 HydrophobicContact CD1-CG2 3.97Å; Y214-I235 HydrophobicContact CE1-CG2 4.46Å; Y214-I235 HydrophobicContact CG-CG2 4.05Å
215	N	96.6	Very high	95.5	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.301	C	S	.	.			trans	-74.4	48.9	173.7	-175.7	32.2	0	0	0	111.9	R114 Q167 T168 E212 L213	R114-N215 PolarHBondContact NH1-O 2.82Å; Q167-N215 PolarHBondContact OE1-ND2 3.03Å; Q167-N215 VanDerWaalsContact OE1-ND2 3.09Å; T168-N215 PolarHBondContact O-ND2 3.18Å; E212-N215 HydrophobicContact CB-CB 4.25Å; E212-N215 WeakPolarHBondContact O-CB 3.49Å; E212-N215 PolarHBondContact O-N 3.31Å; E212-N215 VanDerWaalsContact O-N 3.11Å; L213-N215 VanDerWaalsContact C-N 3.31Å; L213-N215 PolarHBondContact O-N 2.86Å
216	I	96	Very high	95.4	Very high	38 Å²	38	58.8 Å²	58.8	20%	0.195	28%	0.282	C	S	.	.			trans	-69.4	146.5	-173.6	63.1	166.2	0	0	0	111.2	R114 F116 L213 Y214 V226 A227 I230	R114-I216 WeakPolarHBondContact CA-O 3.49Å; R114-I216 WeakPolarHBondContact CG-O 3.45Å; F116-I216 HydrophobicContact CD2-CG1 3.96Å; F116-I216 HydrophobicContact CE2-CD1 4.27Å; F116-I216 HydrophobicContact CE2-CG1 4.03Å; L213-I216 WeakPolarHBondContact O-CG2 3.35Å; Y214-I216 PolarHBondContact O-N 3.3Å; I216-V226 HydrophobicContact CD1-CB 4.3Å; I216-V226 HydrophobicContact CD1-CG1 3.89Å; I216-A227 HydrophobicContact CD1-CB 4.25Å; I216-I230 HydrophobicContact CD1-CD1 3.79Å; I216-I230 HydrophobicContact CG1-CD1 4.19Å
217	K	96	Very high	95.3	Very high	65 Å²	65	57.2 Å²	57.2	28%	0.283	27%	0.272	S	S	.	.			trans	-88.4	117.6	169.8	-164.4	175.9	-177.5	145.9	0	108.8	D111 V113 R114 T219	D111-K217 IonicContact OD1-NZ 2.7Å; D111-K217 PolarHBondContact OD1-NZ 2.99Å; D111-K217 VanDerWaalsContact OD1-NZ 3.13Å; D111-K217 WeakPolarHBondContact OD2-CD 3.33Å; D111-K217 WeakPolarHBondContact OD2-CE 3.48Å; D111-K217 IonicContact OD2-NZ 2.78Å; D111-K217 PolarHBondContact OD2-NZ 2.74Å; V113-K217 HydrophobicContact CG2-CG 3.8Å; R114-K217 HydrophobicContact CG-CB 4.06Å; R114-K217 HydrophobicContact CG-CG 4.23Å; K217-T219 HydrophobicContact CB-CG2 4.1Å; K217-T219 HydrophobicContact CD-CG2 3.87Å; K217-T219 HydrophobicContact CG-CG2 3.67Å; K217-T219 PolarHBondContact O-N 3.23Å; K217-T219 VanDerWaalsContact O-N 3.13Å
218	V	95.1	Very high	95.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.256	C	S	.	.			trans	-72.7	109	173.7	-175.2	0	0	0	0	109	K22 I32 V113 D223 L224 A227	K22-V218 WeakPolarHBondContact CD-O 3.19Å; I32-V218 HydrophobicContact CD1-CB 4.05Å; I32-V218 HydrophobicContact CD1-CG1 3.86Å; I32-V218 HydrophobicContact CD1-CG2 4.18Å; V113-V218 HydrophobicContact CB-CB 4.4Å; V113-V218 PolarHBondContact O-N 2.74Å; V218-D223 HydrophobicContact CB-CB 4.49Å; V218-D223 HydrophobicContact CG1-CB 4.22Å; V218-L224 HydrophobicContact CG1-CB 4.14Å; V218-L224 HydrophobicContact CG1-CD1 4.3Å; V218-A227 HydrophobicContact CG2-CB 3.92Å
219	T	91.8	Very high	94.9	Very high	17 Å²	17	51.6 Å²	51.6	10%	0.104	26%	0.262	C	S	.	.			trans	-127	-26.4	-177.1	65	0	0	0	0	114.5	R14 K217 D223	R14-T219 VanDerWaalsContact CB-O 3.3Å; R14-T219 WeakPolarHBondContact CB-O 3.4Å; K217-T219 HydrophobicContact CB-CG2 4.1Å; K217-T219 HydrophobicContact CD-CG2 3.87Å; K217-T219 HydrophobicContact CG-CG2 3.67Å; K217-T219 PolarHBondContact O-N 3.23Å; K217-T219 VanDerWaalsContact O-N 3.13Å; T219-D223 WeakPolarHBondContact CA-OD2 3.43Å; T219-D223 WeakPolarHBondContact CB-OD2 3.32Å; T219-D223 PolarHBondContact N-OD2 3.4Å; T219-D223 PolarHBondContact OG1-OD2 2.57Å
220	T	92.4	Very high	94.6	Very high	39 Å²	39	52.1 Å²	52.1	24%	0.239	26%	0.264	C	S	.	.	S	Bend	trans	-127.1	164.6	-177	71.6	0	0	0	0	111.3	M15 Y222 D223 L224	M15-T220 VanDerWaalsContact SD-CA 3.57Å; T220-Y222 PolarHBondContact O-N 3.41Å; T220-Y222 PolarHBondContact OG1-N 3.39Å; T220-D223 PolarHBondContact N-OD2 3.02Å; T220-D223 PolarHBondContact O-N 3.21Å; T220-D223 VanDerWaalsContact O-N 3.13Å; T220-D223 PolarHBondContact OG1-N 3.48Å; T220-D223 VanDerWaalsContact OG1-N 3.16Å; T220-D223 PolarHBondContact OG1-OD1 3.2Å; T220-D223 VanDerWaalsContact OG1-OD1 3.12Å; T220-D223 PolarHBondContact OG1-OD2 3.39Å; T220-D223 VanDerWaalsContact OG1-OD2 3.1Å; T220-L224 PolarHBondContact O-N 3.48Å; T220-L224 VanDerWaalsContact O-N 3.11Å
221	P	91.2	Very high	94.3	Very high	67 Å²	67	49.2 Å²	49.2	44%	0.435	25%	0.253	S	S	.	.	H	α-helix	trans	-60	-27.4	172	-24.9	36.4	0	0	0	113.4	K225	P221-K225 PolarHBondContact O-N 3.17Å
222	Y	94.1	Very high	93.9	Very high	171 Å²	171	57.3 Å²	57.3	67%	0.671	28%	0.281	S	S	*	.	H	α-helix	trans	-65.8	-49.4	172.8	174.7	-95.6	0	0	0	110.6	T220 L224 K225 V226	T220-Y222 PolarHBondContact O-N 3.41Å; T220-Y222 PolarHBondContact OG1-N 3.39Å; Y222-L224 PolarHBondContact O-N 2.87Å; Y222-K225 WeakPolarHBondContact O-CB 3.38Å; Y222-K225 PolarHBondContact O-N 3.3Å; Y222-V226 HydrophobicContact CD1-CG2 4.04Å; Y222-V226 HydrophobicContact CE1-CG2 3.58Å; Y222-V226 HydrophobicContact CE2-CG2 4.26Å; Y222-V226 WeakPolarHBondContact O-CG2 3.32Å; Y222-V226 PolarHBondContact O-N 3.49Å
223	D	94.9	Very high	93.5	Very high	30 Å²	30	57.4 Å²	57.4	16%	0.16	30%	0.296	C	S	.	.	H	α-helix	trans	-59.2	-36.4	178.7	-48.9	-26	0	0	0	111.5	V218 T219 T220 K225 V226 A227	V218-D223 HydrophobicContact CB-CB 4.49Å; V218-D223 HydrophobicContact CG1-CB 4.22Å; T219-D223 WeakPolarHBondContact CA-OD2 3.43Å; T219-D223 WeakPolarHBondContact CB-OD2 3.32Å; T219-D223 PolarHBondContact N-OD2 3.4Å; T219-D223 PolarHBondContact OG1-OD2 2.57Å; T220-D223 PolarHBondContact N-OD2 3.02Å; T220-D223 PolarHBondContact O-N 3.21Å; T220-D223 VanDerWaalsContact O-N 3.13Å; T220-D223 PolarHBondContact OG1-N 3.48Å; T220-D223 VanDerWaalsContact OG1-N 3.16Å; T220-D223 PolarHBondContact OG1-OD1 3.2Å; T220-D223 VanDerWaalsContact OG1-OD1 3.12Å; T220-D223 PolarHBondContact OG1-OD2 3.39Å; T220-D223 VanDerWaalsContact OG1-OD2 3.1Å; D223-K225 VanDerWaalsContact C-N 3.35Å; D223-K225 PolarHBondContact O-N 2.75Å; D223-V226 PolarHBondContact O-N 3.19Å; D223-A227 VanDerWaalsContact O-CB 3.29Å; D223-A227 WeakPolarHBondContact O-CB 3.44Å; D223-A227 PolarHBondContact O-N 3.01Å
224	L	93.3	Very high	92.7	Very high	35 Å²	35	53.8 Å²	53.8	18%	0.183	29%	0.286	C	S	.	.	H	α-helix	trans	-64.5	-38.4	176.3	-176.1	63.2	0	0	0	112	M15 L25 I32 V218 T220 Y222 N228	M15-L224 HydrophobicContact CE-CB 4.23Å; M15-L224 HydrophobicContact CE-CD2 4Å; L25-L224 HydrophobicContact CD1-CD2 4.25Å; I32-L224 HydrophobicContact CD1-CD1 4.1Å; V218-L224 HydrophobicContact CG1-CB 4.14Å; V218-L224 HydrophobicContact CG1-CD1 4.3Å; T220-L224 PolarHBondContact O-N 3.48Å; T220-L224 VanDerWaalsContact O-N 3.11Å; Y222-L224 PolarHBondContact O-N 2.87Å; L224-N228 PolarHBondContact O-N 2.93Å; L224-N228 PolarHBondContact O-ND2 3.27Å
225	K	93.6	Very high	91.3	Very high	159 Å²	159	56 Å²	56	69%	0.691	30%	0.3	S	S	*	.	H	α-helix	trans	-66.7	-43.8	173.8	-69.6	177.8	-178.2	-179.1	0	111.2	P221 Y222 D223 N228 A229	P221-K225 PolarHBondContact O-N 3.17Å; Y222-K225 WeakPolarHBondContact O-CB 3.38Å; Y222-K225 PolarHBondContact O-N 3.3Å; D223-K225 VanDerWaalsContact C-N 3.35Å; D223-K225 PolarHBondContact O-N 2.75Å; K225-N228 PolarHBondContact O-N 2.9Å; K225-A229 PolarHBondContact O-N 3.45Å
226	V	95	Very high	89.4	Confident	46 Å²	46	57 Å²	57	28%	0.279	31%	0.307	S	S	.	.	H	α-helix	trans	-61	-46.9	176.4	175.9	0	0	0	0	110.4	I216 Y222 D223 N228 A229 I230	I216-V226 HydrophobicContact CD1-CB 4.3Å; I216-V226 HydrophobicContact CD1-CG1 3.89Å; Y222-V226 HydrophobicContact CD1-CG2 4.04Å; Y222-V226 HydrophobicContact CE1-CG2 3.58Å; Y222-V226 HydrophobicContact CE2-CG2 4.26Å; Y222-V226 WeakPolarHBondContact O-CG2 3.32Å; Y222-V226 PolarHBondContact O-N 3.49Å; D223-V226 PolarHBondContact O-N 3.19Å; V226-N228 VanDerWaalsContact C-N 3.34Å; V226-N228 PolarHBondContact O-N 3.41Å; V226-A229 WeakPolarHBondContact O-CA 3.23Å; V226-A229 WeakPolarHBondContact O-CB 3.42Å; V226-A229 PolarHBondContact O-N 3.06Å; V226-I230 HydrophobicContact CG1-CD1 3.9Å; V226-I230 HydrophobicContact CG1-CG1 4.33Å; V226-I230 WeakPolarHBondContact O-CG1 3.47Å; V226-I230 PolarHBondContact O-N 3.37Å
227	A	95.3	Very high	87.3	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-57.5	-46	176.3	0	0	0	0	0	111.5	L27 F116 I216 V218 D223 A229 I230 I231	L27-A227 HydrophobicContact CD1-CB 3.73Å; L27-A227 WeakPolarHBondContact CD1-O 3.45Å; L27-A227 HydrophobicContact CD2-CB 4.42Å; F116-A227 HydrophobicContact CE2-CB 3.69Å; F116-A227 HydrophobicContact CZ-CB 3.81Å; F116-A227 WeakPolarHBondContact CZ-O 3.41Å; I216-A227 HydrophobicContact CD1-CB 4.25Å; V218-A227 HydrophobicContact CG2-CB 3.92Å; D223-A227 VanDerWaalsContact O-CB 3.29Å; D223-A227 WeakPolarHBondContact O-CB 3.44Å; D223-A227 PolarHBondContact O-N 3.01Å; A227-A229 PolarHBondContact O-N 3.41Å; A227-I230 PolarHBondContact O-N 3.1Å; A227-I231 PolarHBondContact O-N 3.36Å
228	N	93.9	Very high	85.2	Confident	30 Å²	30	65.5 Å²	65.5	16%	0.16	36%	0.357	C	S	.	.	H	α-helix	trans	-62.4	-30.4	176.3	-85.2	-78.2	0	0	0	112.8	L27 D28 L224 K225 V226 I231 R232	L27-N228 HydrophobicContact CD1-CB 4.2Å; L27-N228 VanDerWaalsContact CD1-N 3.34Å; D28-N228 PolarHBondContact N-OD1 3.23Å; L224-N228 PolarHBondContact O-N 2.93Å; L224-N228 PolarHBondContact O-ND2 3.27Å; K225-N228 PolarHBondContact O-N 2.9Å; V226-N228 VanDerWaalsContact C-N 3.34Å; V226-N228 PolarHBondContact O-N 3.41Å; N228-I231 WeakPolarHBondContact O-CG2 3.43Å; N228-R232 WeakPolarHBondContact O-CB 3.41Å; N228-R232 WeakPolarHBondContact O-CD 3.38Å; N228-R232 VanDerWaalsContact O-CG 3.23Å; N228-R232 WeakPolarHBondContact O-CG 3.48Å; N228-R232 PolarHBondContact O-N 3.1Å
229	A	94	Very high	84.7	Confident	66 Å²	66	68.8 Å²	68.8	55%	0.545	38%	0.375	S	S	.	.	H	α-helix	trans	-73.1	-43	173.1	0	0	0	0	0	112.1	K225 V226 A227 R232 G233	K225-A229 PolarHBondContact O-N 3.45Å; V226-A229 WeakPolarHBondContact O-CA 3.23Å; V226-A229 WeakPolarHBondContact O-CB 3.42Å; V226-A229 PolarHBondContact O-N 3.06Å; A227-A229 PolarHBondContact O-N 3.41Å; A229-R232 PolarHBondContact O-N 3.21Å; A229-G233 PolarHBondContact O-N 3.2Å
230	I	93.3	Very high	84.3	Confident	20 Å²	20	71.5 Å²	71.5	10%	0.103	39%	0.389	C	S	.	.	H	α-helix	trans	-58	-50.5	177.6	-68.4	168.6	0	0	0	110.5	F116 I216 V226 A227 R232 G233 I235	F116-I230 HydrophobicContact CD1-CG2 3.8Å; F116-I230 HydrophobicContact CD2-CD1 4.19Å; F116-I230 HydrophobicContact CD2-CG2 4.14Å; F116-I230 HydrophobicContact CE1-CB 4.18Å; F116-I230 HydrophobicContact CE1-CG2 3.67Å; F116-I230 HydrophobicContact CE2-CB 4.1Å; F116-I230 HydrophobicContact CE2-CD1 3.93Å; F116-I230 HydrophobicContact CE2-CG2 4.02Å; F116-I230 HydrophobicContact CG-CG2 4.03Å; F116-I230 HydrophobicContact CZ-CB 3.84Å; F116-I230 HydrophobicContact CZ-CG2 3.78Å; I216-I230 HydrophobicContact CD1-CD1 3.79Å; I216-I230 HydrophobicContact CG1-CD1 4.19Å; V226-I230 HydrophobicContact CG1-CD1 3.9Å; V226-I230 HydrophobicContact CG1-CG1 4.33Å; V226-I230 WeakPolarHBondContact O-CG1 3.47Å; V226-I230 PolarHBondContact O-N 3.37Å; A227-I230 PolarHBondContact O-N 3.1Å; I230-R232 PolarHBondContact O-N 2.71Å; I230-G233 PolarHBondContact O-N 3.23Å; I230-I235 HydrophobicContact CG2-CB 4.12Å; I230-I235 HydrophobicContact CG2-CG2 4.31Å
231	I	92	Very high	83.9	Confident	31 Å²	31	73.3 Å²	73.3	16%	0.159	40%	0.397	C	S	.	.	H	α-helix	trans	-66.1	-40	-175.6	-163.2	166	0	0	0	112.2	L27 D28 H35 F116 A227 N228 G233 G234	L27-I231 HydrophobicContact CD1-CB 4.38Å; L27-I231 HydrophobicContact CD1-CG2 3.76Å; L27-I231 HydrophobicContact CD2-CD1 3.98Å; L27-I231 HydrophobicContact CG-CB 4.41Å; L27-I231 HydrophobicContact CG-CD1 3.86Å; L27-I231 HydrophobicContact CG-CG2 4.06Å; D28-I231 HydrophobicContact CB-CD1 3.98Å; D28-I231 HydrophobicContact CB-CG1 4.39Å; D28-I231 HydrophobicContact CB-CG2 3.76Å; H35-I231 WeakPolarHBondContact CE1-CD1 3.39Å; F116-I231 HydrophobicContact CE1-CB 3.98Å; F116-I231 HydrophobicContact CZ-CB 4.39Å; A227-I231 PolarHBondContact O-N 3.36Å; N228-I231 WeakPolarHBondContact O-CG2 3.43Å; I231-G233 VanDerWaalsContact C-N 3.26Å; I231-G233 PolarHBondContact O-N 3.09Å; I231-G234 PolarHBondContact O-N 3.3Å
232	R	89.4	Confident	83.5	Confident	179 Å²	179	73.7 Å²	73.7	68%	0.675	40%	0.395	S	S	*	.	H	α-helix	trans	-72.3	-21.6	177.6	-70.3	175.6	179.8	174	1.4	113.2	D28 N228 A229 I230 G234	D28-R232 IonicContact OD1-NE 2.71Å; N228-R232 WeakPolarHBondContact O-CB 3.41Å; N228-R232 WeakPolarHBondContact O-CD 3.38Å; N228-R232 VanDerWaalsContact O-CG 3.23Å; N228-R232 WeakPolarHBondContact O-CG 3.48Å; N228-R232 PolarHBondContact O-N 3.1Å; A229-R232 PolarHBondContact O-N 3.21Å; I230-R232 PolarHBondContact O-N 2.71Å; R232-G234 VanDerWaalsContact C-N 3.32Å
233	G	87.2	Confident	82.8	Confident	55 Å²	55	67.6 Å²	67.6	57%	0.567	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-5	177.1	0	0	0	0	0	114.7	A229 I230 I231 I235	A229-G233 PolarHBondContact O-N 3.2Å; I230-G233 PolarHBondContact O-N 3.23Å; I231-G233 VanDerWaalsContact C-N 3.26Å; I231-G233 PolarHBondContact O-N 3.09Å; G233-I235 VanDerWaalsContact C-N 3.27Å; G233-I235 PolarHBondContact O-N 2.87Å
234	G	78	Confident	82	Confident	36 Å²	36	70.1 Å²	70.1	37%	0.371	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	12.8	-179.6	0	0	0	0	0	114.7	I231 R232 A236	I231-G234 PolarHBondContact O-N 3.3Å; R232-G234 VanDerWaalsContact C-N 3.32Å; G234-A236 PolarHBondContact O-N 3.34Å
235	I	64	Low	81.2	Confident	93 Å²	93	72.6 Å²	72.6	48%	0.477	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-13.6	179.7	-64.7	170.2	0	0	0	111.5	Y214 I230 G233	Y214-I235 HydrophobicContact CD1-CG2 3.97Å; Y214-I235 HydrophobicContact CE1-CG2 4.46Å; Y214-I235 HydrophobicContact CG-CG2 4.05Å; I230-I235 HydrophobicContact CG2-CB 4.12Å; I230-I235 HydrophobicContact CG2-CG2 4.31Å; G233-I235 VanDerWaalsContact C-N 3.27Å; G233-I235 PolarHBondContact O-N 2.87Å
236	A	57.2	Low	80.2	Confident	19 Å²	19	66 Å²	66	16%	0.157	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	4.3	-170.9	0	0	0	0	0	115.6	K39 F116 G234 D238	K39-A236 PolarHBondContact NZ-O 3.06Å; F116-A236 HydrophobicContact CD1-CB 3.89Å; F116-A236 HydrophobicContact CE1-CB 4.38Å; G234-A236 PolarHBondContact O-N 3.34Å; A236-D238 PolarHBondContact O-N 3.08Å
237	D	51.7	Low	79	Confident	145 Å²	145	67.7 Å²	67.7	78%	0.775	39%	0.394	S	S	*	.			trans	-83.1	19.4	-170.2	-71.2	-20.3	0	0	0	115.3
238	D	52.1	Low	77.5	Confident	138 Å²	138	73.8 Å²	73.8	74%	0.738	43%	0.43	S	S	*	.			trans	-79.8	0	165.1	-75.4	-8.9	0	0	0	113.2	K39 T118 H119 A236	K39-D238 PolarHBondContact NZ-O 3.34Å; T118-D238 HydrophobicContact CG2-CB 4.45Å; H119-D238 PolarHBondContact ND1-OXT 2.89Å; A236-D238 PolarHBondContact O-N 3.08Å

Retrieved 238 of 238 residues in 1304.5 ms (Link to these results)

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