A0A096MWY2_PAPAN Loading...

Ras-related protein Rab-4

The small GTPases Rab are key regulators of intracellular membrane trafficking, from the formation of transport vesicles to their fusion with membranes. Rabs cycle between an inactive GDP-bound form and an active GTP-bound form that is able to recruit to membranes different sets of downstream effectors directly responsible for vesicle formation, movement, tethering and fusion.

AlphaFold DB (P20338), UniProt , Accession A0A096MWY2, Species PAPAN (Papio anubis, Olive baboon), Gene RAB4A, Length 218 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	34.5	Very low	58.5	Low	242 Å²	242	113.5 Å²	113.5	100%	1.192	63%	0.629	S	S	*	*				0	122.7	0	-77.2	172.3	168.6	0	0	107	Q3	M1-Q3 PolarHBondContact O-N 3.16Å
2	S	36	Very low	61.6	Low	105 Å²	105	105.6 Å²	105.6	73%	0.734	58%	0.583	S	S	*	*			trans	-57.2	130.3	-177.4	55.8	0	0	0	0	109.7	T4	S2-T4 PolarHBondContact O-N 3.04Å
3	Q	37.4	Very low	64.2	Low	191 Å²	191	98.2 Å²	98.2	89%	0.893	54%	0.542	S	S	*	.			trans	-59.2	100.6	158.3	-69.3	176.9	14.6	0	0	105.5	M1 A5	M1-Q3 PolarHBondContact O-N 3.16Å; Q3-A5 PolarHBondContact O-N 3.01Å
4	T	39.7	Very low	66.6	Low	122 Å²	122	91.1 Å²	91.1	75%	0.748	50%	0.503	S	S	*	.			trans	-58.4	99.7	162.9	-50.7	0	0	0	0	103.9	S2 M6	S2-T4 PolarHBondContact O-N 3.04Å; T4-M6 PolarHBondContact O-N 2.93Å
5	A	47.5	Very low	68.6	Low	87 Å²	87	87.6 Å²	87.6	72%	0.719	48%	0.481	S	S	*	.			trans	-45.9	113	168.3	0	0	0	0	0	104.7	Q3 S7	Q3-A5 PolarHBondContact O-N 3.01Å; A5-S7 PolarHBondContact O-N 2.8Å
6	M	43.5	Very low	70.4	Confident	175 Å²	175	82.1 Å²	82.1	86%	0.862	45%	0.451	S	S	*	.			trans	-50.3	111.7	177.8	-84.1	-174.9	171.3	0	0	104.6	T4 E8	T4-M6 PolarHBondContact O-N 2.93Å; M6-E8 VanDerWaalsContact C-N 3.31Å; M6-E8 PolarHBondContact O-N 2.79Å
7	S	54.3	Low	71.9	Confident	76 Å²	76	77.4 Å²	77.4	53%	0.531	42%	0.424	S	S	.	.			trans	-51.6	108.6	171.1	56.9	0	0	0	0	104.1	A5 T9	A5-S7 PolarHBondContact O-N 2.8Å; S7-T9 VanDerWaalsContact C-N 3.25Å; S7-T9 WeakPolarHBondContact O-CG2 3.33Å; S7-T9 PolarHBondContact O-N 3.09Å
8	E	73.3	Confident	73.3	Confident	137 Å²	137	73.1 Å²	73.1	64%	0.64	40%	0.401	S	S	*	.			trans	-63.8	98.2	-176.7	-59.3	177.7	151.1	0	0	105.6	M6 Y10 I54	M6-E8 VanDerWaalsContact C-N 3.31Å; M6-E8 PolarHBondContact O-N 2.79Å; E8-Y10 VanDerWaalsContact O-CD1 3.27Å; E8-Y10 WeakPolarHBondContact O-CD1 3.24Å; E8-Y10 PolarHBondContact O-N 2.73Å; E8-I54 HydrophobicContact CB-CD1 3.27Å; E8-I54 HydrophobicContact CG-CD1 4.31Å; E8-I54 WeakPolarHBondContact O-CD1 3.39Å; E8-I54 WeakPolarHBondContact OE2-CD1 3.12Å
9	T	88	Confident	74.5	Confident	60 Å²	60	69.2 Å²	69.2	37%	0.368	38%	0.38	S	S	.	.			trans	-72.8	129.3	-172.4	48.9	0	0	0	0	108.1	S7	S7-T9 VanDerWaalsContact C-N 3.25Å; S7-T9 WeakPolarHBondContact O-CG2 3.33Å; S7-T9 PolarHBondContact O-N 3.09Å
10	Y	94	Very high	75.6	Confident	40 Å²	40	65.8 Å²	65.8	16%	0.157	36%	0.361	C	S	.	.			trans	-126.5	157.3	176.9	55.1	-92.4	0	0	0	110.4	E8 F12 L13 I54 Y61 K63 G195 A197	E8-Y10 VanDerWaalsContact O-CD1 3.27Å; E8-Y10 WeakPolarHBondContact O-CD1 3.24Å; E8-Y10 PolarHBondContact O-N 2.73Å; Y10-F12 VanDerWaalsContact CD2-C 3.44Å; Y10-F12 WeakPolarHBondContact CD2-O 3.36Å; Y10-L13 HydrophobicContact CD2-CB 4.48Å; Y10-L13 HydrophobicContact CE2-CB 3.75Å; Y10-L13 HydrophobicContact CE2-CD1 4.18Å; Y10-I54 HydrophobicContact CD1-CD1 3.87Å; Y10-I54 HydrophobicContact CG-CD1 4.5Å; Y10-Y61 WeakPolarHBondContact CB-O 3.24Å; Y10-K63 HydrophobicContact CD1-CB 3.73Å; Y10-K63 HydrophobicContact CD1-CD 3.79Å; Y10-K63 HydrophobicContact CD1-CG 4.38Å; Y10-K63 HydrophobicContact CD2-CB 3.89Å; Y10-K63 HydrophobicContact CE1-CB 4.04Å; Y10-K63 HydrophobicContact CE1-CD 3.46Å; Y10-K63 VanDerWaalsContact CE1-CD 3.46Å; Y10-K63 HydrophobicContact CE1-CG 4.39Å; Y10-K63 HydrophobicContact CE2-CB 4.16Å; Y10-K63 HydrophobicContact CG-CB 3.66Å; Y10-G195 CarbonylContact O-C 3.56Å; Y10-G195 VanDerWaalsContact O-CA 3.27Å; Y10-G195 WeakPolarHBondContact O-CA 3.39Å; Y10-A197 WeakPolarHBondContact O-CB 3.4Å; Y10-A197 PolarHBondContact O-N 3.37Å
11	D	94.9	Very high	76.5	Confident	13 Å²	13	63.7 Å²	63.7	7%	0.07	35%	0.349	C	S	.	.	S	Bend	trans	-81.7	-37.7	176.5	-60.9	-69.6	0	0	0	111.4	K60 Y61 G195 A198	D11-K60 HydrophobicContact CB-CD 4.39Å; D11-K60 WeakPolarHBondContact OD2-CA 3.23Å; D11-Y61 WeakPolarHBondContact CB-O 3.5Å; D11-Y61 PolarHBondContact N-O 2.75Å; D11-Y61 PolarHBondContact OD2-N 3.12Å; D11-G195 PolarHBondContact O-N 2.86Å; D11-A198 VanDerWaalsContact O-CB 3.3Å; D11-A198 WeakPolarHBondContact O-CB 3.44Å
12	F	96.1	Very high	79.3	Confident	19 Å²	19	53.6 Å²	53.6	8%	0.083	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	146.4	-177.3	-62.3	-83.3	0	0	0	112.8	Y10 F14 Y61 V62 K63 L175 I178 P185 I192 Q193 Y194	Y10-F12 VanDerWaalsContact CD2-C 3.44Å; Y10-F12 WeakPolarHBondContact CD2-O 3.36Å; F12-F14 HydrophobicContact CB-CD1 4.03Å; F12-F14 HydrophobicContact CB-CE1 3.47Å; F12-F14 VanDerWaalsContact CB-CE1 3.47Å; F12-F14 HydrophobicContact CB-CZ 4Å; F12-F14 HydrophobicContact CD1-CE1 4.2Å; F12-F14 AromaticContact CG-CE1 3.96Å; F12-F14 HydrophobicContact CG-CE1 3.96Å; F12-F14 HydrophobicContact CG-CZ 4.3Å; F12-Y61 PolarHBondContact N-O 2.96Å; F12-V62 HydrophobicContact CB-CG1 4.44Å; F12-V62 HydrophobicContact CB-CG2 4.48Å; F12-V62 CarbonylContact O-C 3.57Å; F12-V62 WeakPolarHBondContact O-CA 3.39Å; F12-K63 PolarHBondContact O-N 2.97Å; F12-L175 HydrophobicContact CD2-CD2 3.58Å; F12-L175 HydrophobicContact CE2-CD2 3.66Å; F12-L175 HydrophobicContact CG-CD2 4.29Å; F12-L175 HydrophobicContact CZ-CD2 4.41Å; F12-I178 HydrophobicContact CD1-CD1 4.3Å; F12-I178 HydrophobicContact CE1-CD1 4.12Å; F12-I178 HydrophobicContact CE1-CG2 4.5Å; F12-P185 HydrophobicContact CE1-CG 4.34Å; F12-I192 HydrophobicContact CD1-CG2 4.23Å; F12-Q193 CarbonylContact C-O 3.36Å; F12-Q193 WeakPolarHBondContact CA-O 3.21Å; F12-Y194 HydrophobicContact CD1-CD1 4.12Å; F12-Y194 HydrophobicContact CD1-CE1 4.36Å; F12-Y194 AromaticContact CE1-CD1 3.67Å; F12-Y194 HydrophobicContact CE1-CD1 3.67Å; F12-Y194 AromaticContact CE1-CE1 3.51Å; F12-Y194 HydrophobicContact CE1-CE1 3.51Å; F12-Y194 HydrophobicContact CZ-CD1 4.41Å; F12-Y194 HydrophobicContact CZ-CE1 4.13Å
13	L	95.8	Very high	82	Confident	9 Å²	9	50.4 Å²	50.4	5%	0.047	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	122.3	166.9	-175.6	114.7	0	0	0	108.9	Y10 K63 Q65 I192 Q193	Y10-L13 HydrophobicContact CD2-CB 4.48Å; Y10-L13 HydrophobicContact CE2-CB 3.75Å; Y10-L13 HydrophobicContact CE2-CD1 4.18Å; L13-K63 CarbonylContact C-O 3.55Å; L13-K63 WeakPolarHBondContact CA-O 3.47Å; L13-K63 HydrophobicContact CD1-CB 4.2Å; L13-K63 HydrophobicContact CD1-CD 3.98Å; L13-K63 HydrophobicContact CD1-CG 4.07Å; L13-Q65 HydrophobicContact CD1-CG 3.95Å; L13-Q65 HydrophobicContact CD2-CG 4.41Å; L13-Q65 HydrophobicContact CG-CG 4.24Å; L13-I192 WeakPolarHBondContact O-CA 3.29Å; L13-Q193 HydrophobicContact CB-CB 4.18Å; L13-Q193 HydrophobicContact CD2-CB 4.44Å; L13-Q193 HydrophobicContact CD2-CG 4.26Å; L13-Q193 PolarHBondContact N-O 3.38Å; L13-Q193 PolarHBondContact O-N 3.14Å
14	F	97.5	Very high	84.8	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.1	176.7	-61.7	-14.5	0	0	0	111.1	F12 F16 V62 K63 L64 Q65 A171 I174 L175 I178 I192	F12-F14 HydrophobicContact CB-CD1 4.03Å; F12-F14 HydrophobicContact CB-CE1 3.47Å; F12-F14 VanDerWaalsContact CB-CE1 3.47Å; F12-F14 HydrophobicContact CB-CZ 4Å; F12-F14 HydrophobicContact CD1-CE1 4.2Å; F12-F14 AromaticContact CG-CE1 3.96Å; F12-F14 HydrophobicContact CG-CE1 3.96Å; F12-F14 HydrophobicContact CG-CZ 4.3Å; F14-F16 HydrophobicContact CB-CD2 3.92Å; F14-F16 HydrophobicContact CB-CE2 3.72Å; F14-F16 HydrophobicContact CD2-CE2 4.1Å; F14-F16 HydrophobicContact CG-CE2 4.4Å; F14-V62 HydrophobicContact CB-CG1 4.36Å; F14-V62 HydrophobicContact CD1-CG1 4.23Å; F14-V62 HydrophobicContact CD2-CG1 3.38Å; F14-V62 HydrophobicContact CE1-CG1 4.42Å; F14-V62 HydrophobicContact CE2-CG1 3.59Å; F14-V62 HydrophobicContact CE2-CG2 4.32Å; F14-V62 HydrophobicContact CG-CG1 3.73Å; F14-V62 HydrophobicContact CZ-CG1 4.12Å; F14-K63 PolarHBondContact N-O 2.9Å; F14-L64 HydrophobicContact CB-CD2 3.95Å; F14-L64 HydrophobicContact CD2-CD2 4.1Å; F14-L64 HydrophobicContact CG-CD2 4.45Å; F14-Q65 PolarHBondContact O-N 3.06Å; F14-A171 HydrophobicContact CD2-CB 4.34Å; F14-A171 HydrophobicContact CE2-CB 4.35Å; F14-I174 HydrophobicContact CD1-CG2 4.4Å; F14-I174 HydrophobicContact CD2-CB 4.3Å; F14-I174 HydrophobicContact CD2-CD1 4.03Å; F14-I174 HydrophobicContact CD2-CG2 4.04Å; F14-I174 HydrophobicContact CE1-CG2 3.94Å; F14-I174 HydrophobicContact CE2-CB 3.81Å; F14-I174 HydrophobicContact CE2-CD1 4.41Å; F14-I174 HydrophobicContact CE2-CG2 3.55Å; F14-I174 HydrophobicContact CG-CG2 4.46Å; F14-I174 HydrophobicContact CZ-CB 4.2Å; F14-I174 HydrophobicContact CZ-CG2 3.5Å; F14-I174 VanDerWaalsContact CZ-CG2 3.5Å; F14-L175 HydrophobicContact CE2-CD2 4.37Å; F14-L175 HydrophobicContact CE2-CG 4.13Å; F14-L175 HydrophobicContact CZ-CD2 3.73Å; F14-L175 HydrophobicContact CZ-CG 3.95Å; F14-I178 HydrophobicContact CE1-CD1 4.01Å; F14-I178 HydrophobicContact CZ-CD1 3.99Å; F14-I192 HydrophobicContact CD1-CB 4.17Å; F14-I192 HydrophobicContact CD1-CD1 4.41Å; F14-I192 HydrophobicContact CD1-CG1 3.62Å; F14-I192 HydrophobicContact CD1-CG2 3.79Å; F14-I192 HydrophobicContact CE1-CB 4.33Å; F14-I192 HydrophobicContact CE1-CD1 4.3Å; F14-I192 HydrophobicContact CE1-CG1 3.9Å; F14-I192 HydrophobicContact CE1-CG2 3.57Å; F14-I192 HydrophobicContact CG-CG1 4.44Å
15	K	96.3	Very high	87.5	Confident	38 Å²	38	36.1 Å²	36.1	17%	0.165	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	123.4	170	-179.8	174.3	166.5	-170.3	0	110.7	Y82 R84 G85 A87 G88 G191	K15-Y82 VanDerWaalsContact CE-O 3.23Å; K15-Y82 WeakPolarHBondContact CE-O 3.27Å; K15-Y82 PolarHBondContact NZ-O 2.94Å; K15-R84 PolarHBondContact NZ-O 2.62Å; K15-G85 WeakPolarHBondContact CD-O 3.33Å; K15-A87 PolarHBondContact O-N 3.06Å; K15-G88 PolarHBondContact O-N 2.9Å; K15-G191 PolarHBondContact N-O 3.46Å
16	F	98	Very high	89.8	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	150.4	-179.8	-90.7	-122.1	0	0	0	111.5	F14 L64 Q65 I66 W67 G88 L90 F167 C170 A171 I174	F14-F16 HydrophobicContact CB-CD2 3.92Å; F14-F16 HydrophobicContact CB-CE2 3.72Å; F14-F16 HydrophobicContact CD2-CE2 4.1Å; F14-F16 HydrophobicContact CG-CE2 4.4Å; F16-L64 HydrophobicContact CD2-CD2 3.98Å; F16-L64 HydrophobicContact CE2-CD2 3.73Å; F16-L64 HydrophobicContact CZ-CD2 4.19Å; F16-Q65 PolarHBondContact N-O 2.98Å; F16-I66 HydrophobicContact CB-CB 4.41Å; F16-I66 HydrophobicContact CB-CG1 3.97Å; F16-I66 HydrophobicContact CB-CG2 4.38Å; F16-W67 PolarHBondContact O-N 3.3Å; F16-G88 VanDerWaalsContact CA-O 3.28Å; F16-G88 WeakPolarHBondContact CA-O 3.29Å; F16-L90 HydrophobicContact CD1-CD1 3.98Å; F16-L90 HydrophobicContact CE1-CD1 4.27Å; F16-F167 HydrophobicContact CD1-CD1 4.1Å; F16-F167 HydrophobicContact CD1-CE1 4.5Å; F16-F167 HydrophobicContact CE1-CD1 4.4Å; F16-C170 HydrophobicContact CE1-CB 3.7Å; F16-C170 WeakPolarHBondContact CE1-SG 3.28Å; F16-C170 HydrophobicContact CZ-CB 3.95Å; F16-C170 VanDerWaalsContact CZ-SG 3.58Å; F16-A171 HydrophobicContact CZ-CB 4.43Å; F16-I174 HydrophobicContact CE2-CD1 3.58Å; F16-I174 HydrophobicContact CZ-CD1 3.72Å
17	L	96.2	Very high	92.2	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	148.5	169.6	-65.5	163.1	0	0	0	110.6	I19 W67 T69 Y83 A86 G88 A89 L90	L17-I19 HydrophobicContact CB-CG2 4.01Å; L17-W67 WeakPolarHBondContact CA-O 3.36Å; L17-W67 HydrophobicContact CD2-CB 3.74Å; L17-W67 HydrophobicContact CD2-CG 4.44Å; L17-T69 HydrophobicContact CD2-CG2 4.14Å; L17-Y83 HydrophobicContact CD1-CD1 3.94Å; L17-Y83 HydrophobicContact CD1-CE1 4.44Å; L17-Y83 HydrophobicContact CD1-CG 4.15Å; L17-A86 HydrophobicContact CD1-CB 3.36Å; L17-A86 HydrophobicContact CG-CB 3.76Å; L17-G88 PolarHBondContact N-O 3.31Å; L17-A89 HydrophobicContact CB-CB 4.35Å; L17-A89 CarbonylContact O-C 3.54Å; L17-A89 VanDerWaalsContact O-CA 3.29Å; L17-A89 WeakPolarHBondContact O-CA 3.28Å; L17-L90 PolarHBondContact O-N 3.46Å
18	V	97.1	Very high	94.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	115.2	163.1	-166.6	0	0	0	0	107.4	K26 I66 W67 T69 L90 V92 F167	V18-K26 HydrophobicContact CB-CB 4.39Å; V18-K26 HydrophobicContact CG1-CB 3.61Å; V18-K26 HydrophobicContact CG1-CD 4.18Å; V18-K26 HydrophobicContact CG1-CG 3.82Å; V18-I66 HydrophobicContact CG2-CG2 3.6Å; V18-W67 PolarHBondContact N-O 3.06Å; V18-T69 PolarHBondContact O-N 2.71Å; V18-T69 PolarHBondContact O-OG1 3.36Å; V18-L90 HydrophobicContact CG1-CB 4.19Å; V18-V92 HydrophobicContact CG1-CG2 3.7Å; V18-F167 HydrophobicContact CG2-CZ 4.41Å
19	I	95.9	Very high	95.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	157.2	-172.3	62.3	173.6	0	0	0	111.3	L17 K26 T69 Y83 L90 L91 V92 W107 A111	L17-I19 HydrophobicContact CB-CG2 4.01Å; I19-K26 VanDerWaalsContact C-CD 3.44Å; I19-T69 HydrophobicContact CG2-CG2 4.4Å; I19-Y83 HydrophobicContact CD1-CE1 4.08Å; I19-Y83 HydrophobicContact CG2-CE1 4.3Å; I19-L90 WeakPolarHBondContact CG1-O 3.2Å; I19-L90 PolarHBondContact N-O 3.28Å; I19-L91 HydrophobicContact CD1-CD1 4.05Å; I19-L91 HydrophobicContact CG1-CB 4.44Å; I19-L91 HydrophobicContact CG1-CD1 3.96Å; I19-V92 PolarHBondContact O-N 3.01Å; I19-W107 HydrophobicContact CB-CE3 4.05Å; I19-W107 HydrophobicContact CD1-CB 4.4Å; I19-A111 HydrophobicContact CD1-CB 3.9Å
20	G	95.9	Very high	95.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	138.7	167.8	-175.2	0	0	0	0	0	112	K26 G71 W107	G20-K26 WeakPolarHBondContact O-CE 3.48Å; G20-K26 PolarHBondContact O-NZ 3.13Å; G20-G71 VanDerWaalsContact O-CA 3.3Å; G20-G71 WeakPolarHBondContact O-CA 3.39Å; G20-W107 WeakPolarHBondContact O-CZ2 3.17Å
21	N	94.9	Very high	95.8	Very high	23 Å²	23	14.2 Å²	14.2	12%	0.123	9%	0.09	C	C	.	.			trans	-56.4	160.5	-177.8	-88.1	16.6	0	0	0	112.9	T24 K26 T100 A103 W107	N21-T24 HydrophobicContact CB-CG2 4.14Å; N21-T24 WeakPolarHBondContact O-CG2 3.34Å; N21-T24 PolarHBondContact O-OG1 2.8Å; N21-K26 PolarHBondContact O-NZ 3.49Å; N21-T100 HydrophobicContact CB-CG2 4.05Å; N21-A103 WeakPolarHBondContact ND2-CB 3.34Å; N21-A103 VanDerWaalsContact OD1-CB 3.32Å; N21-A103 WeakPolarHBondContact OD1-CB 3.45Å; N21-W107 PolarHBondContact OD1-NE1 3.46Å
22	A	92.9	Very high	95.9	Very high	30 Å²	30	14.3 Å²	14.3	25%	0.248	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	151.3	169.4	0	0	0	0	0	110.5	T24 G71 Q72	A22-T24 PolarHBondContact O-N 2.9Å; A22-G71 PolarHBondContact N-O 2.85Å; A22-G71 VanDerWaalsContact N-O 3.12Å; A22-Q72 HydrophobicContact CB-CG 3.95Å
23	G	93.3	Very high	96	Very high	37 Å²	37	13.4 Å²	13.4	38%	0.381	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	-5.9	176.6	0	0	0	0	0	116.3	G25 K127	G23-G25 PolarHBondContact O-N 3.08Å; G23-K127 VanDerWaalsContact O-CE 3.24Å; G23-K127 WeakPolarHBondContact O-CE 3.37Å; G23-K127 PolarHBondContact O-NZ 3.36Å
24	T	95.9	Very high	96	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-74.2	-9	178.4	61.1	0	0	0	0	114.4	N21 A22 K26 D94 T100 N126	N21-T24 HydrophobicContact CB-CG2 4.14Å; N21-T24 WeakPolarHBondContact O-CG2 3.34Å; N21-T24 PolarHBondContact O-OG1 2.8Å; A22-T24 PolarHBondContact O-N 2.9Å; T24-K26 WeakPolarHBondContact OG1-CG 3.08Å; T24-D94 HydrophobicContact CG2-CB 4.35Å; T24-T100 HydrophobicContact CG2-CG2 3.58Å; T24-N126 WeakPolarHBondContact O-CB 3.26Å; T24-N126 PolarHBondContact O-ND2 2.91Å
25	G	96	Very high	95.9	Very high	13 Å²	13	20 Å²	20	13%	0.134	12%	0.117	C	C	.	.			trans	89.8	22.5	177.8	0	0	0	0	0	115.6	G23 S27 C28 L29	G23-G25 PolarHBondContact O-N 3.08Å; G25-S27 PolarHBondContact O-N 3.21Å; G25-C28 WeakPolarHBondContact O-CB 3.41Å; G25-C28 PolarHBondContact O-N 3.16Å; G25-L29 WeakPolarHBondContact O-CG 3.38Å; G25-L29 PolarHBondContact O-N 3.11Å
26	K	95.6	Very high	95.9	Very high	8 Å²	8	23.2 Å²	23.2	4%	0.035	13%	0.131	C	C	.	.	H	α-helix	trans	-52.4	-50.8	176.8	-58.9	-173.5	-59.6	-66.7	0	113.6	V18 I19 G20 N21 T24 C28 L29 L30 D68 T69 V92	V18-K26 HydrophobicContact CB-CB 4.39Å; V18-K26 HydrophobicContact CG1-CB 3.61Å; V18-K26 HydrophobicContact CG1-CD 4.18Å; V18-K26 HydrophobicContact CG1-CG 3.82Å; I19-K26 VanDerWaalsContact C-CD 3.44Å; G20-K26 WeakPolarHBondContact O-CE 3.48Å; G20-K26 PolarHBondContact O-NZ 3.13Å; N21-K26 PolarHBondContact O-NZ 3.49Å; T24-K26 WeakPolarHBondContact OG1-CG 3.08Å; K26-C28 VanDerWaalsContact C-N 3.33Å; K26-C28 PolarHBondContact O-N 3.28Å; K26-L29 WeakPolarHBondContact O-CB 3.48Å; K26-L29 PolarHBondContact O-N 3.05Å; K26-L30 PolarHBondContact O-N 2.99Å; K26-D68 WeakPolarHBondContact CB-OD1 3.33Å; K26-T69 WeakPolarHBondContact CE-O 3.42Å; K26-V92 HydrophobicContact CG-CB 4.14Å; K26-V92 HydrophobicContact CG-CG2 4.23Å
27	S	94.8	Very high	95.7	Very high	18 Å²	18	29.8 Å²	29.8	13%	0.126	16%	0.16	C	C	.	.	H	α-helix	trans	-64.6	-37.8	177.9	-44.6	0	0	0	0	112	G25 L30 H31 T45 D68	G25-S27 PolarHBondContact O-N 3.21Å; S27-L30 PolarHBondContact O-N 3.01Å; S27-H31 WeakPolarHBondContact O-CB 3.25Å; S27-H31 PolarHBondContact O-N 3.23Å; S27-T45 PolarHBondContact OG-OG1 3.09Å; S27-D68 WeakPolarHBondContact CA-OD2 3.35Å; S27-D68 VanDerWaalsContact CB-OD2 3.24Å; S27-D68 WeakPolarHBondContact CB-OD2 3.46Å; S27-D68 PolarHBondContact OG-OD2 3Å
28	C	95.6	Very high	95.4	Very high	21 Å²	21	33.5 Å²	33.5	14%	0.142	18%	0.176	C	C	.	.	H	α-helix	trans	-65.3	-39.3	175.4	-53.7	0	0	0	0	111.4	G25 K26 Q32 F38 K39 A157	G25-C28 WeakPolarHBondContact O-CB 3.41Å; G25-C28 PolarHBondContact O-N 3.16Å; K26-C28 VanDerWaalsContact C-N 3.33Å; K26-C28 PolarHBondContact O-N 3.28Å; C28-Q32 WeakPolarHBondContact O-CB 3.27Å; C28-Q32 PolarHBondContact O-N 3.31Å; C28-F38 HydrophobicContact CB-CD2 4.23Å; C28-F38 HydrophobicContact CB-CE2 3.88Å; C28-K39 PolarHBondContact SG-O 2.98Å; C28-K39 VanDerWaalsContact SG-O 3.38Å; C28-A157 HydrophobicContact CB-CB 3.64Å
29	L	97.3	Very high	94.8	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-63.4	-45.6	173.9	-75	171.7	0	0	0	111.7	G25 K26 Q32 F33 V92 N126 A157 V163	G25-L29 WeakPolarHBondContact O-CG 3.38Å; G25-L29 PolarHBondContact O-N 3.11Å; K26-L29 WeakPolarHBondContact O-CB 3.48Å; K26-L29 PolarHBondContact O-N 3.05Å; L29-Q32 PolarHBondContact O-N 2.87Å; L29-F33 VanDerWaalsContact O-CB 3.29Å; L29-F33 WeakPolarHBondContact O-CB 3.48Å; L29-F33 PolarHBondContact O-N 3Å; L29-V92 HydrophobicContact CD1-CG1 3.79Å; L29-V92 HydrophobicContact CD1-CG2 3.96Å; L29-N126 HydrophobicContact CD1-CB 4.33Å; L29-A157 HydrophobicContact CD2-CB 3.95Å; L29-A157 HydrophobicContact CG-CB 4.16Å; L29-V163 HydrophobicContact CD2-CB 4.4Å; L29-V163 HydrophobicContact CD2-CG1 4.12Å; L29-V163 HydrophobicContact CD2-CG2 3.64Å
30	L	96.6	Very high	94.1	Very high	7 Å²	7	42.2 Å²	42.2	4%	0.037	22%	0.22	C	C	.	.	H	α-helix	trans	-60	-49.3	176.5	176.4	58.7	0	0	0	111	K26 S27 F33 I34 I66 D68	K26-L30 PolarHBondContact O-N 2.99Å; S27-L30 PolarHBondContact O-N 3.01Å; L30-F33 PolarHBondContact O-N 3.39Å; L30-I34 HydrophobicContact CD1-CD1 3.49Å; L30-I34 VanDerWaalsContact CD1-CD1 3.49Å; L30-I34 HydrophobicContact CD1-CG1 4.09Å; L30-I34 HydrophobicContact CG-CD1 4.05Å; L30-I34 WeakPolarHBondContact O-CG1 3.23Å; L30-I34 PolarHBondContact O-N 3.38Å; L30-I66 HydrophobicContact CD1-CB 3.8Å; L30-I66 HydrophobicContact CD1-CD1 3.91Å; L30-I66 HydrophobicContact CD1-CG1 4.48Å; L30-I66 HydrophobicContact CD1-CG2 3.7Å; L30-D68 HydrophobicContact CB-CB 4.5Å; L30-D68 HydrophobicContact CD2-CB 3.55Å
31	H	95.6	Very high	93.1	Very high	60 Å²	60	47 Å²	47	28%	0.278	25%	0.246	S	C	.	.	H	α-helix	trans	-63.9	-43.8	-179.8	-169.7	-86.7	0	0	0	111.8	S27 F33 I34 E35 K37 K39	S27-H31 WeakPolarHBondContact O-CB 3.25Å; S27-H31 PolarHBondContact O-N 3.23Å; H31-F33 VanDerWaalsContact C-N 3.32Å; H31-F33 PolarHBondContact O-N 3.47Å; H31-I34 PolarHBondContact O-N 3.49Å; H31-E35 WeakPolarHBondContact O-CB 3.43Å; H31-E35 PolarHBondContact O-N 3.08Å; H31-K37 PolarHBondContact ND1-O 3.22Å; H31-K39 HydrophobicContact CB-CB 3.92Å; H31-K39 HydrophobicContact CB-CD 4.31Å
32	Q	97.5	Very high	91.7	Very high	15 Å²	15	51.3 Å²	51.3	7%	0.07	28%	0.278	C	S	.	.	H	α-helix	trans	-62.4	-39.2	175.5	-178.9	63.8	-73.8	0	0	111.5	C28 L29 K36 K37 A157 L158 V163	C28-Q32 WeakPolarHBondContact O-CB 3.27Å; C28-Q32 PolarHBondContact O-N 3.31Å; L29-Q32 PolarHBondContact O-N 2.87Å; Q32-K36 VanDerWaalsContact O-CA 3.22Å; Q32-K36 WeakPolarHBondContact O-CA 3.48Å; Q32-K36 PolarHBondContact O-N 3.05Å; Q32-K36 PolarHBondContact OE1-O 3.39Å; Q32-K37 WeakPolarHBondContact CA-O 3.47Å; Q32-K37 PolarHBondContact N-O 3.11Å; Q32-A157 WeakPolarHBondContact CG-O 3.33Å; Q32-A157 PolarHBondContact NE2-O 3.38Å; Q32-L158 PolarHBondContact NE2-O 2.91Å; Q32-V163 HydrophobicContact CB-CG1 4.28Å; Q32-V163 HydrophobicContact CG-CB 4.3Å; Q32-V163 HydrophobicContact CG-CG1 4.13Å; Q32-V163 HydrophobicContact CG-CG2 4.01Å
33	F	98.1	Very high	91.1	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64.4	-43.9	176.7	177	-116.5	0	0	0	112.5	L29 L30 H31 K53 I55 L64 I66 V163 E164 F167	L29-F33 VanDerWaalsContact O-CB 3.29Å; L29-F33 WeakPolarHBondContact O-CB 3.48Å; L29-F33 PolarHBondContact O-N 3Å; L30-F33 PolarHBondContact O-N 3.39Å; H31-F33 VanDerWaalsContact C-N 3.32Å; H31-F33 PolarHBondContact O-N 3.47Å; F33-K53 HydrophobicContact CD1-CD 4.22Å; F33-K53 HydrophobicContact CE1-CB 3.8Å; F33-K53 HydrophobicContact CE1-CD 3.83Å; F33-K53 HydrophobicContact CE1-CG 4.24Å; F33-K53 HydrophobicContact CE2-CD 4.32Å; F33-K53 HydrophobicContact CZ-CB 4.35Å; F33-K53 HydrophobicContact CZ-CD 3.9Å; F33-K53 HydrophobicContact CZ-CG 4.36Å; F33-K53 PolarHBondContact O-NZ 3.15Å; F33-I55 HydrophobicContact CE2-CG2 4.25Å; F33-I55 HydrophobicContact CZ-CG2 3.73Å; F33-L64 HydrophobicContact CE1-CD1 4.14Å; F33-L64 HydrophobicContact CZ-CD1 4Å; F33-I66 HydrophobicContact CD1-CD1 3.6Å; F33-I66 HydrophobicContact CE1-CD1 3.53Å; F33-V163 HydrophobicContact CB-CG1 3.93Å; F33-E164 HydrophobicContact CD2-CB 4.46Å; F33-E164 HydrophobicContact CE2-CG 4.33Å; F33-F167 HydrophobicContact CB-CD2 3.96Å; F33-F167 HydrophobicContact CB-CE2 3.61Å; F33-F167 HydrophobicContact CB-CZ 4.33Å; F33-F167 HydrophobicContact CD1-CD1 4.41Å; F33-F167 AromaticContact CD1-CD2 3.94Å; F33-F167 HydrophobicContact CD1-CD2 3.94Å; F33-F167 HydrophobicContact CD1-CE1 4.46Å; F33-F167 HydrophobicContact CD1-CE2 4.02Å; F33-F167 HydrophobicContact CD1-CG 4.16Å; F33-F167 HydrophobicContact CD1-CZ 4.27Å; F33-F167 HydrophobicContact CD2-CB 4.26Å; F33-F167 AromaticContact CD2-CD2 3.45Å; F33-F167 HydrophobicContact CD2-CD2 3.45Å; F33-F167 VanDerWaalsContact CD2-CD2 3.45Å; F33-F167 HydrophobicContact CD2-CE2 4.03Å; F33-F167 HydrophobicContact CD2-CG 4.02Å; F33-F167 HydrophobicContact CE1-CB 4.4Å; F33-F167 HydrophobicContact CE1-CD1 4.31Å; F33-F167 HydrophobicContact CE1-CD2 4.29Å; F33-F167 HydrophobicContact CE1-CG 4.08Å; F33-F167 HydrophobicContact CE2-CB 3.75Å; F33-F167 AromaticContact CE2-CD2 3.84Å; F33-F167 HydrophobicContact CE2-CD2 3.84Å; F33-F167 AromaticContact CE2-CG 3.94Å; F33-F167 HydrophobicContact CE2-CG 3.94Å; F33-F167 AromaticContact CG-CD2 3.49Å; F33-F167 HydrophobicContact CG-CD2 3.49Å; F33-F167 VanDerWaalsContact CG-CD2 3.49Å; F33-F167 AromaticContact CG-CE2 3.61Å; F33-F167 HydrophobicContact CG-CE2 3.61Å; F33-F167 HydrophobicContact CG-CG 4.12Å; F33-F167 HydrophobicContact CG-CZ 4.3Å; F33-F167 HydrophobicContact CZ-CB 3.81Å; F33-F167 HydrophobicContact CZ-CD2 4.23Å; F33-F167 AromaticContact CZ-CG 3.96Å; F33-F167 HydrophobicContact CZ-CG 3.96Å
34	I	96.3	Very high	90.5	Very high	41 Å²	41	59.3 Å²	59.3	21%	0.21	31%	0.305	C	S	.	.	H	α-helix	trans	-77.6	-58.1	-176.6	-64.9	176.3	0	0	0	110.9	L30 H31 G51 K53	L30-I34 HydrophobicContact CD1-CD1 3.49Å; L30-I34 VanDerWaalsContact CD1-CD1 3.49Å; L30-I34 HydrophobicContact CD1-CG1 4.09Å; L30-I34 HydrophobicContact CG-CD1 4.05Å; L30-I34 WeakPolarHBondContact O-CG1 3.23Å; L30-I34 PolarHBondContact O-N 3.38Å; H31-I34 PolarHBondContact O-N 3.49Å; I34-G51 VanDerWaalsContact CD1-CA 3.47Å; I34-K53 PolarHBondContact O-NZ 3.31Å
35	E	95	Very high	89.6	Confident	107 Å²	107	60.5 Å²	60.5	50%	0.5	31%	0.312	S	S	.	.	H	α-helix	trans	-95.9	-6.3	-167.2	-61.2	-59.5	149.9	0	0	114.1	H31 K37	H31-E35 WeakPolarHBondContact O-CB 3.43Å; H31-E35 PolarHBondContact O-N 3.08Å; E35-K37 HydrophobicContact CB-CB 4.49Å; E35-K37 PolarHBondContact O-N 2.75Å
36	K	95.9	Very high	88.3	Confident	105 Å²	105	66 Å²	66	46%	0.457	34%	0.337	S	S	.	.	S	Bend	trans	54.9	32.7	-174.5	-57.3	-60.8	-169.7	175.9	0	112.8	Q32 E164	Q32-K36 VanDerWaalsContact O-CA 3.22Å; Q32-K36 WeakPolarHBondContact O-CA 3.48Å; Q32-K36 PolarHBondContact O-N 3.05Å; Q32-K36 PolarHBondContact OE1-O 3.39Å; K36-E164 IonicContact NZ-OE2 2.81Å; K36-E164 PolarHBondContact NZ-OE2 3.01Å
37	K	93.2	Very high	87.2	Confident	137 Å²	137	67.2 Å²	67.2	60%	0.596	35%	0.351	S	S	*	.	S	Bend	trans	-135.5	143.1	178	-67.6	175.9	-172.9	175.1	0	110.8	H31 Q32 E35	H31-K37 PolarHBondContact ND1-O 3.22Å; Q32-K37 WeakPolarHBondContact CA-O 3.47Å; Q32-K37 PolarHBondContact N-O 3.11Å; E35-K37 HydrophobicContact CB-CB 4.49Å; E35-K37 PolarHBondContact O-N 2.75Å
38	F	90.5	Very high	86.5	Confident	80 Å²	80	68 Å²	68	35%	0.351	36%	0.355	S	S	.	.			trans	-71.3	134.5	168.2	-177.7	-112.9	0	0	0	110.5	C28 D40 A157 L158	C28-F38 HydrophobicContact CB-CD2 4.23Å; C28-F38 HydrophobicContact CB-CE2 3.88Å; F38-D40 HydrophobicContact CD1-CB 4.06Å; F38-D40 HydrophobicContact CE1-CB 3.86Å; F38-A157 HydrophobicContact CD2-CB 4.35Å; F38-A157 WeakPolarHBondContact CD2-O 3.15Å; F38-A157 HydrophobicContact CE2-CB 4.39Å; F38-L158 HydrophobicContact CB-CD1 4.21Å; F38-L158 HydrophobicContact CD1-CD1 3.68Å; F38-L158 HydrophobicContact CD2-CB 4.29Å; F38-L158 HydrophobicContact CD2-CD1 4.23Å; F38-L158 HydrophobicContact CE1-CD1 4.05Å; F38-L158 HydrophobicContact CE2-CB 4.45Å; F38-L158 HydrophobicContact CG-CD1 3.77Å; F38-L158 HydrophobicContact CZ-CD1 4.47Å
39	K	85.1	Confident	86.2	Confident	41 Å²	41	70.6 Å²	70.6	18%	0.178	37%	0.366	C	S	.	.			trans	-95.2	103.3	172.8	-177.4	177.9	178.8	-179.6	0	107.8	C28 H31 D41 E49	C28-K39 PolarHBondContact SG-O 2.98Å; C28-K39 VanDerWaalsContact SG-O 3.38Å; H31-K39 HydrophobicContact CB-CB 3.92Å; H31-K39 HydrophobicContact CB-CD 4.31Å; K39-D41 WeakPolarHBondContact CE-OD2 2.83Å; K39-D41 HydrophobicContact CG-CB 4.1Å; K39-D41 IonicContact NZ-OD2 3.54Å; K39-D41 PolarHBondContact O-N 2.67Å; K39-D41 VanDerWaalsContact O-N 3.14Å; K39-E49 IonicContact NZ-OE1 3.69Å; K39-E49 PolarHBondContact NZ-OE1 3.23Å; K39-E49 VanDerWaalsContact NZ-OE1 3.13Å; K39-E49 IonicContact NZ-OE2 3.72Å; K39-E49 PolarHBondContact NZ-OE2 3.27Å
40	D	80.3	Confident	85.9	Confident	141 Å²	141	75.3 Å²	75.3	75%	0.754	39%	0.386	S	S	*	.			trans	-86.3	59.1	177	-167.5	19.8	0	0	0	110.8	F38	F38-D40 HydrophobicContact CD1-CB 4.06Å; F38-D40 HydrophobicContact CE1-CB 3.86Å
41	D	74.2	Confident	85.7	Confident	102 Å²	102	75.3 Å²	75.3	55%	0.545	39%	0.388	S	S	.	.			trans	-108.7	120.4	173.1	-76.6	-29.4	0	0	0	109.1	K39 N43	K39-D41 WeakPolarHBondContact CE-OD2 2.83Å; K39-D41 HydrophobicContact CG-CB 4.1Å; K39-D41 IonicContact NZ-OD2 3.54Å; K39-D41 PolarHBondContact O-N 2.67Å; K39-D41 VanDerWaalsContact O-N 3.14Å; D41-N43 VanDerWaalsContact C-N 3.28Å; D41-N43 PolarHBondContact O-N 2.98Å
42	S	66.9	Low	85.8	Confident	113 Å²	113	74.9 Å²	74.9	79%	0.79	39%	0.392	S	S	*	.			trans	-78.7	-10.7	179	58.7	0	0	0	0	113.8
43	N	78.8	Confident	85.7	Confident	138 Å²	138	76.3 Å²	76.3	74%	0.738	40%	0.398	S	S	*	.	S	Bend	trans	-75	130.7	-177.5	-72.5	-30	0	0	0	111.6	D41	D41-N43 VanDerWaalsContact C-N 3.28Å; D41-N43 PolarHBondContact O-N 2.98Å
44	H	81.6	Confident	85.7	Confident	97 Å²	97	78 Å²	78	45%	0.449	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-68	139.8	171.5	-64.8	-38	0	0	0	111.7	I46	H44-I46 PolarHBondContact O-N 3.15Å
45	T	76.5	Confident	85.7	Confident	25 Å²	25	76.5 Å²	76.5	15%	0.153	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-60.9	119.1	173.2	-34.1	0	0	0	0	110.5	S27 G47 E49 A70	S27-T45 PolarHBondContact OG-OG1 3.09Å; T45-G47 VanDerWaalsContact CG2-O 3.31Å; T45-G47 WeakPolarHBondContact CG2-O 3.49Å; T45-E49 HydrophobicContact CG2-CG 4.23Å; T45-A70 WeakPolarHBondContact O-CB 3.47Å
46	I	68.8	Low	85.8	Confident	128 Å²	128	75.5 Å²	75.5	66%	0.656	40%	0.397	S	S	*	.	S	Bend	trans	-89.6	-13.1	178.3	-65.6	174.8	0	0	0	111.3	H44 F75	H44-I46 PolarHBondContact O-N 3.15Å; I46-F75 HydrophobicContact CB-CE2 4.38Å; I46-F75 HydrophobicContact CB-CZ 4.33Å; I46-F75 HydrophobicContact CG1-CE2 4.45Å; I46-F75 HydrophobicContact CG2-CE1 4.22Å; I46-F75 HydrophobicContact CG2-CE2 4.26Å; I46-F75 HydrophobicContact CG2-CZ 3.72Å
47	G	71.8	Confident	85.8	Confident	33 Å²	33	70.6 Å²	70.6	34%	0.34	38%	0.376	S	S	.	.	S	Bend	trans	-138.6	-148.5	-179.2	0	0	0	0	0	113.2	T45 A70	T45-G47 VanDerWaalsContact CG2-O 3.31Å; T45-G47 WeakPolarHBondContact CG2-O 3.49Å; G47-A70 WeakPolarHBondContact O-CB 3.35Å; G47-A70 PolarHBondContact O-N 2.82Å
48	V	81.7	Confident	85.8	Confident	34 Å²	34	68 Å²	68	21%	0.206	39%	0.387	C	S	.	.			trans	-116.5	121.5	176.2	-176.9	0	0	0	0	109.1	W67 D68 Y82	V48-W67 HydrophobicContact CG1-CB 4.03Å; V48-W67 HydrophobicContact CG1-CD2 4.47Å; V48-W67 HydrophobicContact CG1-CE3 3.66Å; V48-D68 CarbonylContact C-O 3.45Å; V48-D68 WeakPolarHBondContact CA-O 3.33Å; V48-D68 WeakPolarHBondContact CG1-O 3.3Å; V48-Y82 HydrophobicContact CB-CE1 4.22Å; V48-Y82 HydrophobicContact CB-CE2 4.1Å; V48-Y82 HydrophobicContact CG1-CD1 4.1Å; V48-Y82 HydrophobicContact CG1-CE1 3.94Å; V48-Y82 HydrophobicContact CG1-CE2 4.44Å; V48-Y82 HydrophobicContact CG1-CG 4.4Å; V48-Y82 HydrophobicContact CG2-CD2 3.71Å; V48-Y82 HydrophobicContact CG2-CE1 4.32Å; V48-Y82 HydrophobicContact CG2-CE2 3.37Å; V48-Y82 HydrophobicContact CG2-CG 4.32Å
49	E	87.7	Confident	85.9	Confident	77 Å²	77	66.7 Å²	66.7	36%	0.36	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	138.7	172.3	-68.8	-172.6	177.2	0	0	109.1	K39 T45 D68	K39-E49 IonicContact NZ-OE1 3.69Å; K39-E49 PolarHBondContact NZ-OE1 3.23Å; K39-E49 VanDerWaalsContact NZ-OE1 3.13Å; K39-E49 IonicContact NZ-OE2 3.72Å; K39-E49 PolarHBondContact NZ-OE2 3.27Å; T45-E49 HydrophobicContact CG2-CG 4.23Å; E49-D68 HydrophobicContact CB-CB 4.23Å; E49-D68 PolarHBondContact N-O 3.43Å; E49-D68 PolarHBondContact O-N 2.99Å
50	F	91.1	Very high	86.4	Confident	100 Å²	100	68.1 Å²	68.1	44%	0.439	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.1	176.9	172.7	-95.1	0	0	0	109.8	Q65 W67	F50-Q65 HydrophobicContact CE2-CB 3.84Å; F50-Q65 HydrophobicContact CE2-CG 3.91Å; F50-Q65 HydrophobicContact CZ-CB 4.32Å; F50-Q65 HydrophobicContact CZ-CG 3.94Å; F50-W67 HydrophobicContact CB-CE3 4.28Å; F50-W67 HydrophobicContact CB-CZ3 4.24Å; F50-W67 HydrophobicContact CD2-CD2 4.02Å; F50-W67 AromaticContact CD2-CE2 3.86Å; F50-W67 HydrophobicContact CD2-CE3 4.16Å; F50-W67 HydrophobicContact CD2-CH2 4.12Å; F50-W67 AromaticContact CD2-CZ2 3.93Å; F50-W67 HydrophobicContact CD2-CZ2 3.93Å; F50-W67 HydrophobicContact CD2-CZ3 4.21Å; F50-W67 HydrophobicContact CE2-CZ2 4.27Å
51	G	94	Very high	87.1	Confident	8 Å²	8	67 Å²	67	8%	0.082	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	153.7	171.1	0	0	0	0	0	111.2	I34 I66	I34-G51 VanDerWaalsContact CD1-CA 3.47Å; G51-I66 PolarHBondContact N-O 3.2Å; G51-I66 PolarHBondContact O-N 3.14Å
52	S	95.8	Very high	88.2	Confident	50 Å²	50	62.2 Å²	62.2	35%	0.35	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	141.9	172.7	74.6	0	0	0	0	112.2	L64	S52-L64 WeakPolarHBondContact CA-O 3.33Å; S52-L64 WeakPolarHBondContact CB-O 3.27Å
53	K	96.7	Very high	89.7	Confident	46 Å²	46	59.3 Å²	59.3	20%	0.2	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	138.3	176.6	-175.7	165.5	-178.2	161.9	0	110.3	F33 I34 I55 L64	F33-K53 HydrophobicContact CD1-CD 4.22Å; F33-K53 HydrophobicContact CE1-CB 3.8Å; F33-K53 HydrophobicContact CE1-CD 3.83Å; F33-K53 HydrophobicContact CE1-CG 4.24Å; F33-K53 HydrophobicContact CE2-CD 4.32Å; F33-K53 HydrophobicContact CZ-CB 4.35Å; F33-K53 HydrophobicContact CZ-CD 3.9Å; F33-K53 HydrophobicContact CZ-CG 4.36Å; F33-K53 PolarHBondContact O-NZ 3.15Å; I34-K53 PolarHBondContact O-NZ 3.31Å; K53-I55 HydrophobicContact CG-CG2 4.25Å; K53-L64 PolarHBondContact N-O 3.34Å; K53-L64 VanDerWaalsContact N-O 3.14Å; K53-L64 PolarHBondContact O-N 3.15Å
54	I	97	Very high	90.6	Very high	35 Å²	35	52.7 Å²	52.7	18%	0.179	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	130.5	169.6	-65.1	173.1	0	0	0	108.7	E8 Y10 Y61 V62 K63	E8-I54 HydrophobicContact CB-CD1 3.27Å; E8-I54 HydrophobicContact CG-CD1 4.31Å; E8-I54 WeakPolarHBondContact O-CD1 3.39Å; E8-I54 WeakPolarHBondContact OE2-CD1 3.12Å; Y10-I54 HydrophobicContact CD1-CD1 3.87Å; Y10-I54 HydrophobicContact CG-CD1 4.5Å; I54-Y61 HydrophobicContact CG2-CD1 4.07Å; I54-V62 WeakPolarHBondContact CA-O 3.48Å; I54-K63 HydrophobicContact CD1-CB 4.42Å; I54-K63 HydrophobicContact CD1-CD 4.34Å; I54-K63 HydrophobicContact CD1-CG 4.5Å; I54-K63 HydrophobicContact CG1-CB 3.73Å; I54-K63 HydrophobicContact CG1-CD 4.18Å; I54-K63 HydrophobicContact CG1-CG 3.83Å
55	I	97.2	Very high	91.3	Very high	9 Å²	9	50.8 Å²	50.8	5%	0.046	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	153.9	176.4	56.8	168.9	0	0	0	110.1	F33 K53 V57 Y61 V62 L64 V168 A171	F33-I55 HydrophobicContact CE2-CG2 4.25Å; F33-I55 HydrophobicContact CZ-CG2 3.73Å; K53-I55 HydrophobicContact CG-CG2 4.25Å; I55-V57 HydrophobicContact CD1-CG2 3.6Å; I55-V57 HydrophobicContact CG1-CG2 3.91Å; I55-Y61 WeakPolarHBondContact O-CA 3.44Å; I55-V62 HydrophobicContact CG1-CB 4.33Å; I55-V62 PolarHBondContact N-O 2.83Å; I55-V62 PolarHBondContact O-N 3.32Å; I55-L64 HydrophobicContact CD1-CD1 3.69Å; I55-L64 HydrophobicContact CD1-CD2 4.48Å; I55-L64 HydrophobicContact CD1-CG 4.07Å; I55-L64 HydrophobicContact CG1-CD1 4.3Å; I55-L64 HydrophobicContact CG1-CG 4.24Å; I55-V168 HydrophobicContact CD1-CG2 4.08Å; I55-A171 HydrophobicContact CD1-CB 3.98Å
56	N	96.4	Very high	92.3	Very high	86 Å²	86	49.6 Å²	49.6	46%	0.46	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	121.2	171.2	-175.6	-24.4	0	0	0	109.3	G59 K60 Y61	N56-G59 VanDerWaalsContact OD1-CA 3.22Å; N56-G59 WeakPolarHBondContact OD1-CA 3.26Å; N56-G59 PolarHBondContact OD1-N 2.79Å; N56-K60 CarbonylContact C-O 3.46Å; N56-K60 WeakPolarHBondContact CA-O 3.44Å; N56-Y61 HydrophobicContact CB-CD1 4.43Å; N56-Y61 HydrophobicContact CB-CE1 4.29Å
57	V	96.6	Very high	93.5	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.018	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	105.3	178.4	-172.4	0	0	0	0	108.5	I55 G59 K60 A171 R172 L175	I55-V57 HydrophobicContact CD1-CG2 3.6Å; I55-V57 HydrophobicContact CG1-CG2 3.91Å; V57-G59 VanDerWaalsContact C-N 3.28Å; V57-G59 PolarHBondContact O-N 3.38Å; V57-K60 PolarHBondContact N-O 2.94Å; V57-K60 PolarHBondContact O-N 3.03Å; V57-K60 VanDerWaalsContact O-N 3.12Å; V57-A171 HydrophobicContact CG2-CB 4.07Å; V57-R172 HydrophobicContact CG1-CB 3.59Å; V57-R172 HydrophobicContact CG1-CG 4.05Å; V57-L175 HydrophobicContact CB-CD1 3.75Å; V57-L175 HydrophobicContact CG1-CD1 3.76Å
58	G	92.3	Very high	94.5	Very high	81 Å²	81	45 Å²	45	84%	0.835	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	31.3	178.8	0	0	0	0	0	114	K60	G58-K60 VanDerWaalsContact C-N 3.29Å; G58-K60 PolarHBondContact O-N 3.44Å
59	G	93	Very high	94.6	Very high	53 Å²	53	43.3 Å²	43.3	55%	0.546	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	-1.5	-177	0	0	0	0	0	114.3	N56 V57	N56-G59 VanDerWaalsContact OD1-CA 3.22Å; N56-G59 WeakPolarHBondContact OD1-CA 3.26Å; N56-G59 PolarHBondContact OD1-N 2.79Å; V57-G59 VanDerWaalsContact C-N 3.28Å; V57-G59 PolarHBondContact O-N 3.38Å
60	K	94.9	Very high	94.3	Very high	71 Å²	71	39.8 Å²	39.8	31%	0.309	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133.2	171.8	-60.8	-62.6	-173.2	177.6	0	110.4	D11 N56 V57 G58 L175	D11-K60 HydrophobicContact CB-CD 4.39Å; D11-K60 WeakPolarHBondContact OD2-CA 3.23Å; N56-K60 CarbonylContact C-O 3.46Å; N56-K60 WeakPolarHBondContact CA-O 3.44Å; V57-K60 PolarHBondContact N-O 2.94Å; V57-K60 PolarHBondContact O-N 3.03Å; V57-K60 VanDerWaalsContact O-N 3.12Å; G58-K60 VanDerWaalsContact C-N 3.29Å; G58-K60 PolarHBondContact O-N 3.44Å; K60-L175 HydrophobicContact CB-CD1 4.27Å
61	Y	96.6	Very high	93.6	Very high	119 Å²	119	35.3 Å²	35.3	47%	0.467	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	119.5	172	-70.1	-82.8	0	0	0	109.4	Y10 D11 F12 I54 I55 N56	Y10-Y61 WeakPolarHBondContact CB-O 3.24Å; D11-Y61 WeakPolarHBondContact CB-O 3.5Å; D11-Y61 PolarHBondContact N-O 2.75Å; D11-Y61 PolarHBondContact OD2-N 3.12Å; F12-Y61 PolarHBondContact N-O 2.96Å; I54-Y61 HydrophobicContact CG2-CD1 4.07Å; I55-Y61 WeakPolarHBondContact O-CA 3.44Å; N56-Y61 HydrophobicContact CB-CD1 4.43Å; N56-Y61 HydrophobicContact CB-CE1 4.29Å
62	V	97.5	Very high	92.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121.4	-178.6	-177	0	0	0	0	109.1	F12 F14 I54 I55 L64 L175	F12-V62 HydrophobicContact CB-CG1 4.44Å; F12-V62 HydrophobicContact CB-CG2 4.48Å; F12-V62 CarbonylContact O-C 3.57Å; F12-V62 WeakPolarHBondContact O-CA 3.39Å; F14-V62 HydrophobicContact CB-CG1 4.36Å; F14-V62 HydrophobicContact CD1-CG1 4.23Å; F14-V62 HydrophobicContact CD2-CG1 3.38Å; F14-V62 HydrophobicContact CE1-CG1 4.42Å; F14-V62 HydrophobicContact CE2-CG1 3.59Å; F14-V62 HydrophobicContact CE2-CG2 4.32Å; F14-V62 HydrophobicContact CG-CG1 3.73Å; F14-V62 HydrophobicContact CZ-CG1 4.12Å; I54-V62 WeakPolarHBondContact CA-O 3.48Å; I55-V62 HydrophobicContact CG1-CB 4.33Å; I55-V62 PolarHBondContact N-O 2.83Å; I55-V62 PolarHBondContact O-N 3.32Å; V62-L64 HydrophobicContact CG1-CD2 3.77Å; V62-L175 HydrophobicContact CG2-CD1 3.95Å; V62-L175 HydrophobicContact CG2-CD2 4.34Å; V62-L175 HydrophobicContact CG2-CG 4.44Å
63	K	97.4	Very high	91.5	Very high	52 Å²	52	40.7 Å²	40.7	23%	0.226	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	112.3	169.2	-171.8	164.8	-175.5	169.8	0	109.6	Y10 F12 L13 F14 I54	Y10-K63 HydrophobicContact CD1-CB 3.73Å; Y10-K63 HydrophobicContact CD1-CD 3.79Å; Y10-K63 HydrophobicContact CD1-CG 4.38Å; Y10-K63 HydrophobicContact CD2-CB 3.89Å; Y10-K63 HydrophobicContact CE1-CB 4.04Å; Y10-K63 HydrophobicContact CE1-CD 3.46Å; Y10-K63 VanDerWaalsContact CE1-CD 3.46Å; Y10-K63 HydrophobicContact CE1-CG 4.39Å; Y10-K63 HydrophobicContact CE2-CB 4.16Å; Y10-K63 HydrophobicContact CG-CB 3.66Å; F12-K63 PolarHBondContact O-N 2.97Å; L13-K63 CarbonylContact C-O 3.55Å; L13-K63 WeakPolarHBondContact CA-O 3.47Å; L13-K63 HydrophobicContact CD1-CB 4.2Å; L13-K63 HydrophobicContact CD1-CD 3.98Å; L13-K63 HydrophobicContact CD1-CG 4.07Å; F14-K63 PolarHBondContact N-O 2.9Å; I54-K63 HydrophobicContact CD1-CB 4.42Å; I54-K63 HydrophobicContact CD1-CD 4.34Å; I54-K63 HydrophobicContact CD1-CG 4.5Å; I54-K63 HydrophobicContact CG1-CB 3.73Å; I54-K63 HydrophobicContact CG1-CD 4.18Å; I54-K63 HydrophobicContact CG1-CG 3.83Å
64	L	98.1	Very high	90.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	127	170.5	-56.6	-172.4	0	0	0	109.4	F14 F16 F33 S52 K53 I55 V62 I66 F167 A171	F14-L64 HydrophobicContact CB-CD2 3.95Å; F14-L64 HydrophobicContact CD2-CD2 4.1Å; F14-L64 HydrophobicContact CG-CD2 4.45Å; F16-L64 HydrophobicContact CD2-CD2 3.98Å; F16-L64 HydrophobicContact CE2-CD2 3.73Å; F16-L64 HydrophobicContact CZ-CD2 4.19Å; F33-L64 HydrophobicContact CE1-CD1 4.14Å; F33-L64 HydrophobicContact CZ-CD1 4Å; S52-L64 WeakPolarHBondContact CA-O 3.33Å; S52-L64 WeakPolarHBondContact CB-O 3.27Å; K53-L64 PolarHBondContact N-O 3.34Å; K53-L64 VanDerWaalsContact N-O 3.14Å; K53-L64 PolarHBondContact O-N 3.15Å; I55-L64 HydrophobicContact CD1-CD1 3.69Å; I55-L64 HydrophobicContact CD1-CD2 4.48Å; I55-L64 HydrophobicContact CD1-CG 4.07Å; I55-L64 HydrophobicContact CG1-CD1 4.3Å; I55-L64 HydrophobicContact CG1-CG 4.24Å; V62-L64 HydrophobicContact CG1-CD2 3.77Å; L64-I66 HydrophobicContact CB-CD1 4.1Å; L64-I66 HydrophobicContact CB-CG1 3.95Å; L64-I66 HydrophobicContact CD1-CD1 4.5Å; L64-F167 HydrophobicContact CD1-CB 4Å; L64-F167 HydrophobicContact CD1-CD1 4.12Å; L64-F167 HydrophobicContact CD1-CG 4.44Å; L64-A171 HydrophobicContact CD2-CB 4.31Å
65	Q	96.9	Very high	89.5	Confident	56 Å²	56	47.9 Å²	47.9	26%	0.262	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	108.3	164.9	-78.2	-167.3	-23.5	0	0	108.2	L13 F14 F16 F50	L13-Q65 HydrophobicContact CD1-CG 3.95Å; L13-Q65 HydrophobicContact CD2-CG 4.41Å; L13-Q65 HydrophobicContact CG-CG 4.24Å; F14-Q65 PolarHBondContact O-N 3.06Å; F16-Q65 PolarHBondContact N-O 2.98Å; F50-Q65 HydrophobicContact CE2-CB 3.84Å; F50-Q65 HydrophobicContact CE2-CG 3.91Å; F50-Q65 HydrophobicContact CZ-CB 4.32Å; F50-Q65 HydrophobicContact CZ-CG 3.94Å
66	I	97.1	Very high	88.3	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.6	-170.1	-53.3	161.5	0	0	0	108.6	F16 V18 L30 F33 G51 L64 F167	F16-I66 HydrophobicContact CB-CB 4.41Å; F16-I66 HydrophobicContact CB-CG1 3.97Å; F16-I66 HydrophobicContact CB-CG2 4.38Å; V18-I66 HydrophobicContact CG2-CG2 3.6Å; L30-I66 HydrophobicContact CD1-CB 3.8Å; L30-I66 HydrophobicContact CD1-CD1 3.91Å; L30-I66 HydrophobicContact CD1-CG1 4.48Å; L30-I66 HydrophobicContact CD1-CG2 3.7Å; F33-I66 HydrophobicContact CD1-CD1 3.6Å; F33-I66 HydrophobicContact CE1-CD1 3.53Å; G51-I66 PolarHBondContact N-O 3.2Å; G51-I66 PolarHBondContact O-N 3.14Å; L64-I66 HydrophobicContact CB-CD1 4.1Å; L64-I66 HydrophobicContact CB-CG1 3.95Å; L64-I66 HydrophobicContact CD1-CD1 4.5Å; I66-F167 HydrophobicContact CD1-CD1 3.93Å; I66-F167 HydrophobicContact CD1-CE1 3.58Å; I66-F167 HydrophobicContact CD1-CZ 4.22Å; I66-F167 HydrophobicContact CG1-CE1 4.12Å; I66-F167 HydrophobicContact CG2-CE1 4.11Å
67	W	94.6	Very high	87.3	Confident	64 Å²	64	50.2 Å²	50.2	24%	0.242	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	107.5	175.3	-60.7	87.7	0	0	0	108.4	F16 L17 V18 V48 F50 Y82	F16-W67 PolarHBondContact O-N 3.3Å; L17-W67 WeakPolarHBondContact CA-O 3.36Å; L17-W67 HydrophobicContact CD2-CB 3.74Å; L17-W67 HydrophobicContact CD2-CG 4.44Å; V18-W67 PolarHBondContact N-O 3.06Å; V48-W67 HydrophobicContact CG1-CB 4.03Å; V48-W67 HydrophobicContact CG1-CD2 4.47Å; V48-W67 HydrophobicContact CG1-CE3 3.66Å; F50-W67 HydrophobicContact CB-CE3 4.28Å; F50-W67 HydrophobicContact CB-CZ3 4.24Å; F50-W67 HydrophobicContact CD2-CD2 4.02Å; F50-W67 AromaticContact CD2-CE2 3.86Å; F50-W67 HydrophobicContact CD2-CE3 4.16Å; F50-W67 HydrophobicContact CD2-CH2 4.12Å; F50-W67 AromaticContact CD2-CZ2 3.93Å; F50-W67 HydrophobicContact CD2-CZ2 3.93Å; F50-W67 HydrophobicContact CD2-CZ3 4.21Å; F50-W67 HydrophobicContact CE2-CZ2 4.27Å; W67-Y82 AromaticContact CD2-CD1 3.89Å; W67-Y82 HydrophobicContact CD2-CD1 3.89Å; W67-Y82 HydrophobicContact CD2-CE1 4.2Å; W67-Y82 AromaticContact CE3-CD1 3.64Å; W67-Y82 HydrophobicContact CE3-CD1 3.64Å; W67-Y82 AromaticContact CE3-CE1 3.49Å; W67-Y82 HydrophobicContact CE3-CE1 3.49Å; W67-Y82 VanDerWaalsContact CE3-CE1 3.49Å; W67-Y82 HydrophobicContact CG-CD1 4.34Å; W67-Y82 HydrophobicContact CH2-CE1 4.27Å; W67-Y82 HydrophobicContact CZ3-CD1 4.09Å; W67-Y82 AromaticContact CZ3-CE1 3.54Å; W67-Y82 HydrophobicContact CZ3-CE1 3.54Å
68	D	90.7	Very high	86.2	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	124	170.4	172.7	42.6	0	0	0	109.5	K26 S27 L30 V48 E49	K26-D68 WeakPolarHBondContact CB-OD1 3.33Å; S27-D68 WeakPolarHBondContact CA-OD2 3.35Å; S27-D68 VanDerWaalsContact CB-OD2 3.24Å; S27-D68 WeakPolarHBondContact CB-OD2 3.46Å; S27-D68 PolarHBondContact OG-OD2 3Å; L30-D68 HydrophobicContact CB-CB 4.5Å; L30-D68 HydrophobicContact CD2-CB 3.55Å; V48-D68 CarbonylContact C-O 3.45Å; V48-D68 WeakPolarHBondContact CA-O 3.33Å; V48-D68 WeakPolarHBondContact CG1-O 3.3Å; E49-D68 HydrophobicContact CB-CB 4.23Å; E49-D68 PolarHBondContact N-O 3.43Å; E49-D68 PolarHBondContact O-N 2.99Å
69	T	84.5	Confident	85.5	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.243	C	C	.	.			trans	-105.6	146.6	-169.7	64	0	0	0	0	112.4	L17 V18 I19 K26 G71 T79	L17-T69 HydrophobicContact CD2-CG2 4.14Å; V18-T69 PolarHBondContact O-N 2.71Å; V18-T69 PolarHBondContact O-OG1 3.36Å; I19-T69 HydrophobicContact CG2-CG2 4.4Å; K26-T69 WeakPolarHBondContact CE-O 3.42Å; T69-G71 PolarHBondContact O-N 3.26Å; T69-T79 HydrophobicContact CG2-CG2 3.82Å
70	A	82.6	Confident	84.9	Confident	2 Å²	2	52.9 Å²	52.9	2%	0.017	24%	0.239	C	C	.	.			trans	-60.8	128.8	169.8	0	0	0	0	0	110.7	T45 G47 F75 T79	T45-A70 WeakPolarHBondContact O-CB 3.47Å; G47-A70 WeakPolarHBondContact O-CB 3.35Å; G47-A70 PolarHBondContact O-N 2.82Å; A70-F75 HydrophobicContact CB-CB 3.67Å; A70-F75 HydrophobicContact CB-CD2 3.85Å; A70-F75 HydrophobicContact CB-CG 4.06Å; A70-T79 PolarHBondContact O-OG1 3.3Å
71	G	75.5	Confident	84.4	Confident	7 Å²	7	53.4 Å²	53.4	7%	0.072	25%	0.251	C	S	.	.			trans	-94	-2.4	-178	0	0	0	0	0	115	G20 A22 T69	G20-G71 VanDerWaalsContact O-CA 3.3Å; G20-G71 WeakPolarHBondContact O-CA 3.39Å; A22-G71 PolarHBondContact N-O 2.85Å; A22-G71 VanDerWaalsContact N-O 3.12Å; T69-G71 PolarHBondContact O-N 3.26Å
72	Q	76.9	Confident	84	Confident	40 Å²	40	50.8 Å²	50.8	19%	0.187	24%	0.241	C	C	.	.	S	Bend	trans	-79.7	143.2	177.1	-61.3	-174.8	32.6	0	0	110.6	A22 R74 F75	A22-Q72 HydrophobicContact CB-CG 3.95Å; Q72-R74 VanDerWaalsContact C-N 3.28Å; Q72-R74 PolarHBondContact O-N 3.43Å; Q72-F75 HydrophobicContact CB-CD2 3.85Å; Q72-F75 HydrophobicContact CB-CE2 4.29Å; Q72-F75 HydrophobicContact CG-CD2 4.44Å; Q72-F75 PolarHBondContact O-N 3.11Å
73	E	69.9	Low	83.7	Confident	131 Å²	131	50.8 Å²	50.8	61%	0.612	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-53.9	-43.4	179.8	179	-80.2	164.6	0	0	112.5	F75 R76	E73-F75 PolarHBondContact O-N 2.97Å; E73-R76 VanDerWaalsContact O-CB 3.31Å; E73-R76 WeakPolarHBondContact O-CB 3.46Å; E73-R76 PolarHBondContact O-N 3.37Å
74	R	74	Confident	83.4	Confident	184 Å²	184	58 Å²	58	69%	0.694	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-60.7	-16.7	-178.8	-65.3	-178.2	-66.2	176.9	-0.6	114	Q72	Q72-R74 VanDerWaalsContact C-N 3.28Å; Q72-R74 PolarHBondContact O-N 3.43Å
75	F	77.3	Confident	83	Confident	48 Å²	48	58.6 Å²	58.6	21%	0.211	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-105	2.3	177.3	-56.9	-52.8	0	0	0	113.5	I46 A70 Q72 E73 S77 V78 T79	I46-F75 HydrophobicContact CB-CE2 4.38Å; I46-F75 HydrophobicContact CB-CZ 4.33Å; I46-F75 HydrophobicContact CG1-CE2 4.45Å; I46-F75 HydrophobicContact CG2-CE1 4.22Å; I46-F75 HydrophobicContact CG2-CE2 4.26Å; I46-F75 HydrophobicContact CG2-CZ 3.72Å; A70-F75 HydrophobicContact CB-CB 3.67Å; A70-F75 HydrophobicContact CB-CD2 3.85Å; A70-F75 HydrophobicContact CB-CG 4.06Å; Q72-F75 HydrophobicContact CB-CD2 3.85Å; Q72-F75 HydrophobicContact CB-CE2 4.29Å; Q72-F75 HydrophobicContact CG-CD2 4.44Å; Q72-F75 PolarHBondContact O-N 3.11Å; E73-F75 PolarHBondContact O-N 2.97Å; F75-S77 VanDerWaalsContact C-N 3.28Å; F75-S77 PolarHBondContact O-N 3.23Å; F75-V78 WeakPolarHBondContact O-CB 3.44Å; F75-V78 PolarHBondContact O-N 3.01Å; F75-T79 PolarHBondContact O-N 2.96Å; F75-T79 PolarHBondContact O-OG1 3.32Å
76	R	72.4	Confident	83	Confident	54 Å²	54	56 Å²	56	20%	0.204	26%	0.261	C	S	.	.	H	α-helix	trans	-57.7	-36.2	-177.6	-86.8	-166.3	164.2	122.7	1.8	113.8	E73 V78 T79 R80 W107	E73-R76 VanDerWaalsContact O-CB 3.31Å; E73-R76 WeakPolarHBondContact O-CB 3.46Å; E73-R76 PolarHBondContact O-N 3.37Å; R76-V78 VanDerWaalsContact C-N 3.33Å; R76-V78 PolarHBondContact O-N 3.02Å; R76-T79 PolarHBondContact O-N 3.48Å; R76-R80 VanDerWaalsContact O-CG 3.3Å; R76-R80 WeakPolarHBondContact O-CG 3.45Å; R76-R80 PolarHBondContact O-N 2.96Å; R76-W107 HydrophobicContact CG-CH2 4.3Å; R76-W107 VanDerWaalsContact NH2-NE1 3.17Å
77	S	75.3	Confident	83	Confident	90 Å²	90	56 Å²	56	63%	0.629	26%	0.261	S	S	*	.	H	α-helix	trans	-61.3	-41.6	176.6	55.9	0	0	0	0	112.2	F75	F75-S77 VanDerWaalsContact C-N 3.28Å; F75-S77 PolarHBondContact O-N 3.23Å
78	V	72.9	Confident	83.1	Confident	70 Å²	70	52.9 Å²	52.9	42%	0.424	25%	0.249	S	C	.	.	H	α-helix	trans	-65.5	-48.6	175.2	-179.8	0	0	0	0	109.6	F75 R76 R80 S81 Y82	F75-V78 WeakPolarHBondContact O-CB 3.44Å; F75-V78 PolarHBondContact O-N 3.01Å; R76-V78 VanDerWaalsContact C-N 3.33Å; R76-V78 PolarHBondContact O-N 3.02Å; V78-R80 VanDerWaalsContact C-N 3.29Å; V78-R80 PolarHBondContact O-N 3.45Å; V78-S81 WeakPolarHBondContact O-CB 3.18Å; V78-S81 PolarHBondContact O-N 3.39Å; V78-S81 VanDerWaalsContact O-N 3.14Å; V78-S81 PolarHBondContact O-OG 2.91Å; V78-Y82 HydrophobicContact CG1-CE2 4.1Å; V78-Y82 VanDerWaalsContact O-CD2 3.3Å; V78-Y82 WeakPolarHBondContact O-CD2 3.36Å
79	T	76.7	Confident	83.5	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.006	25%	0.249	C	C	.	.	H	α-helix	trans	-56.8	-40.7	179	-58.3	0	0	0	0	112.1	T69 A70 F75 R76 S81 Y82 Y83 W107	T69-T79 HydrophobicContact CG2-CG2 3.82Å; A70-T79 PolarHBondContact O-OG1 3.3Å; F75-T79 PolarHBondContact O-N 2.96Å; F75-T79 PolarHBondContact O-OG1 3.32Å; R76-T79 PolarHBondContact O-N 3.48Å; T79-S81 PolarHBondContact O-N 3.47Å; T79-Y82 PolarHBondContact O-N 3.47Å; T79-Y83 HydrophobicContact CG2-CE2 3.85Å; T79-Y83 VanDerWaalsContact O-CD2 3.27Å; T79-Y83 WeakPolarHBondContact O-CD2 3.3Å; T79-W107 HydrophobicContact CG2-CZ3 3.99Å
80	R	80.5	Confident	84.1	Confident	122 Å²	122	53 Å²	53	46%	0.46	25%	0.249	S	C	.	.	H	α-helix	trans	-56.5	-33.1	178.3	-78.9	-178.6	175.1	173.7	-6.6	114.1	R76 V78 Y82 Y83 D110 L114	R76-R80 VanDerWaalsContact O-CG 3.3Å; R76-R80 WeakPolarHBondContact O-CG 3.45Å; R76-R80 PolarHBondContact O-N 2.96Å; V78-R80 VanDerWaalsContact C-N 3.29Å; V78-R80 PolarHBondContact O-N 3.45Å; R80-Y82 PolarHBondContact O-N 3.06Å; R80-Y83 PolarHBondContact O-N 3.02Å; R80-D110 IonicContact CZ-OD1 2.75Å; R80-D110 IonicContact CZ-OD2 3.61Å; R80-D110 IonicContact NE-OD1 3.15Å; R80-D110 IonicContact NE-OD2 3.55Å; R80-D110 PolarHBondContact NE-OD2 3.11Å; R80-D110 IonicContact NH2-OD1 3.52Å; R80-D110 PolarHBondContact NH2-OD1 3.13Å; R80-D110 IonicContact NH2-OD2 2.9Å; R80-D110 PolarHBondContact NH2-OD2 3.31Å; R80-D110 VanDerWaalsContact NH2-OD2 3.15Å; R80-L114 HydrophobicContact CB-CD1 3.9Å; R80-L114 HydrophobicContact CG-CD1 3.56Å
81	S	84.3	Confident	84.9	Confident	81 Å²	81	52.9 Å²	52.9	57%	0.566	25%	0.249	S	C	*	.	H	α-helix	trans	-65.1	-26.5	178.1	72.5	0	0	0	0	113.4	V78 T79	V78-S81 WeakPolarHBondContact O-CB 3.18Å; V78-S81 PolarHBondContact O-N 3.39Å; V78-S81 VanDerWaalsContact O-N 3.14Å; V78-S81 PolarHBondContact O-OG 2.91Å; T79-S81 PolarHBondContact O-N 3.47Å
82	Y	88.3	Confident	86	Confident	64 Å²	64	52.5 Å²	52.5	25%	0.251	25%	0.245	S	C	.	.	H	α-helix	trans	-83.1	-15.7	-178.4	-68.2	-90.2	0	0	0	113.7	K15 V48 W67 V78 T79 R80 R84	K15-Y82 VanDerWaalsContact CE-O 3.23Å; K15-Y82 WeakPolarHBondContact CE-O 3.27Å; K15-Y82 PolarHBondContact NZ-O 2.94Å; V48-Y82 HydrophobicContact CB-CE1 4.22Å; V48-Y82 HydrophobicContact CB-CE2 4.1Å; V48-Y82 HydrophobicContact CG1-CD1 4.1Å; V48-Y82 HydrophobicContact CG1-CE1 3.94Å; V48-Y82 HydrophobicContact CG1-CE2 4.44Å; V48-Y82 HydrophobicContact CG1-CG 4.4Å; V48-Y82 HydrophobicContact CG2-CD2 3.71Å; V48-Y82 HydrophobicContact CG2-CE1 4.32Å; V48-Y82 HydrophobicContact CG2-CE2 3.37Å; V48-Y82 HydrophobicContact CG2-CG 4.32Å; W67-Y82 AromaticContact CD2-CD1 3.89Å; W67-Y82 HydrophobicContact CD2-CD1 3.89Å; W67-Y82 HydrophobicContact CD2-CE1 4.2Å; W67-Y82 AromaticContact CE3-CD1 3.64Å; W67-Y82 HydrophobicContact CE3-CD1 3.64Å; W67-Y82 AromaticContact CE3-CE1 3.49Å; W67-Y82 HydrophobicContact CE3-CE1 3.49Å; W67-Y82 VanDerWaalsContact CE3-CE1 3.49Å; W67-Y82 HydrophobicContact CG-CD1 4.34Å; W67-Y82 HydrophobicContact CH2-CE1 4.27Å; W67-Y82 HydrophobicContact CZ3-CD1 4.09Å; W67-Y82 AromaticContact CZ3-CE1 3.54Å; W67-Y82 HydrophobicContact CZ3-CE1 3.54Å; V78-Y82 HydrophobicContact CG1-CE2 4.1Å; V78-Y82 VanDerWaalsContact O-CD2 3.3Å; V78-Y82 WeakPolarHBondContact O-CD2 3.36Å; T79-Y82 PolarHBondContact O-N 3.47Å; R80-Y82 PolarHBondContact O-N 3.06Å; Y82-R84 VanDerWaalsContact C-N 3.31Å; Y82-R84 PolarHBondContact O-N 3.02Å
83	Y	91.8	Very high	87	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.9	-39.5	178.9	-78.8	-94.9	0	0	0	113.2	L17 I19 T79 R80 G85 A86 D110 A111 L114 A115	L17-Y83 HydrophobicContact CD1-CD1 3.94Å; L17-Y83 HydrophobicContact CD1-CE1 4.44Å; L17-Y83 HydrophobicContact CD1-CG 4.15Å; I19-Y83 HydrophobicContact CD1-CE1 4.08Å; I19-Y83 HydrophobicContact CG2-CE1 4.3Å; T79-Y83 HydrophobicContact CG2-CE2 3.85Å; T79-Y83 VanDerWaalsContact O-CD2 3.27Å; T79-Y83 WeakPolarHBondContact O-CD2 3.3Å; R80-Y83 PolarHBondContact O-N 3.02Å; Y83-G85 PolarHBondContact O-N 3.18Å; Y83-G85 VanDerWaalsContact O-N 3.12Å; Y83-A86 WeakPolarHBondContact O-CB 3.47Å; Y83-A86 PolarHBondContact O-N 3.44Å; Y83-D110 HydrophobicContact CE1-CB 4.37Å; Y83-A111 HydrophobicContact CD1-CB 4.27Å; Y83-A111 HydrophobicContact CE1-CB 3.79Å; Y83-L114 VanDerWaalsContact CB-CB 3.46Å; Y83-L114 HydrophobicContact CD1-CB 4.4Å; Y83-L114 HydrophobicContact CD2-CD1 4.35Å; Y83-L114 HydrophobicContact CG-CB 3.96Å; Y83-L114 HydrophobicContact CG-CD1 4.39Å; Y83-A115 HydrophobicContact CD1-CB 4.39Å; Y83-A115 VanDerWaalsContact O-CA 3.26Å; Y83-A115 WeakPolarHBondContact O-CA 3.46Å; Y83-A115 WeakPolarHBondContact O-CB 3.35Å
84	R	90.3	Very high	88.4	Confident	205 Å²	205	44.8 Å²	44.8	77%	0.774	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	121.6	-174	-175.9	179.2	176.5	123.9	-0.6	110.9	K15 Y82 A86 L114	K15-R84 PolarHBondContact NZ-O 2.62Å; Y82-R84 VanDerWaalsContact C-N 3.31Å; Y82-R84 PolarHBondContact O-N 3.02Å; R84-A86 VanDerWaalsContact C-N 3.32Å; R84-A86 PolarHBondContact O-N 3.47Å; R84-L114 WeakPolarHBondContact CA-O 3.3Å
85	G	90.7	Very high	89.6	Confident	12 Å²	12	36 Å²	36	12%	0.124	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	27.7	178.3	0	0	0	0	0	114.3	K15 Y83 G189 G191	K15-G85 WeakPolarHBondContact CD-O 3.33Å; Y83-G85 PolarHBondContact O-N 3.18Å; Y83-G85 VanDerWaalsContact O-N 3.12Å; G85-G189 WeakPolarHBondContact CA-O 3.27Å; G85-G191 WeakPolarHBondContact O-CA 3.38Å
86	A	95.8	Very high	90.6	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.			trans	-75.9	131.5	162.2	0	0	0	0	0	110.1	L17 Y83 R84 A115 S116 I119	L17-A86 HydrophobicContact CD1-CB 3.36Å; L17-A86 HydrophobicContact CG-CB 3.76Å; Y83-A86 WeakPolarHBondContact O-CB 3.47Å; Y83-A86 PolarHBondContact O-N 3.44Å; R84-A86 VanDerWaalsContact C-N 3.32Å; R84-A86 PolarHBondContact O-N 3.47Å; A86-A115 HydrophobicContact CB-CB 4.27Å; A86-S116 VanDerWaalsContact O-CB 3.28Å; A86-S116 WeakPolarHBondContact O-CB 3.38Å; A86-S116 PolarHBondContact O-N 2.9Å; A86-S116 PolarHBondContact O-OG 2.81Å; A86-I119 HydrophobicContact CB-CD1 4.13Å
87	A	97.1	Very high	91.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-90.4	-31.5	177.7	0	0	0	0	0	111.9	K15 V120 I174 I192	K15-A87 PolarHBondContact O-N 3.06Å; A87-V120 PolarHBondContact O-N 3.22Å; A87-I174 HydrophobicContact CB-CD1 4.12Å; A87-I174 WeakPolarHBondContact O-CD1 3.49Å; A87-I192 HydrophobicContact CB-CD1 3.89Å; A87-I192 HydrophobicContact CB-CG1 3.62Å
88	G	98.1	Very high	92.9	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	151.7	177.3	0	0	0	0	0	112.4	K15 F16 L17 V120	K15-G88 PolarHBondContact O-N 2.9Å; F16-G88 VanDerWaalsContact CA-O 3.28Å; F16-G88 WeakPolarHBondContact CA-O 3.29Å; L17-G88 PolarHBondContact N-O 3.31Å; G88-V120 CarbonylContact C-O 3.59Å; G88-V120 WeakPolarHBondContact CA-O 3.36Å
89	A	98	Very high	94.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	142.4	166.4	0	0	0	0	0	112.3	L17 I119 V120 I121 I122	L17-A89 HydrophobicContact CB-CB 4.35Å; L17-A89 CarbonylContact O-C 3.54Å; L17-A89 VanDerWaalsContact O-CA 3.29Å; L17-A89 WeakPolarHBondContact O-CA 3.28Å; A89-I119 HydrophobicContact CB-CD1 3.97Å; A89-V120 PolarHBondContact N-O 3.3Å; A89-I121 HydrophobicContact CB-CG1 4.28Å; A89-I121 WeakPolarHBondContact O-CA 3.42Å; A89-I122 PolarHBondContact O-N 2.91Å
90	L	98.7	Very high	95.2	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	117.8	159.7	-78.8	70.1	0	0	0	107.4	F16 L17 V18 I19 V92 I122 A166 F167	F16-L90 HydrophobicContact CD1-CD1 3.98Å; F16-L90 HydrophobicContact CE1-CD1 4.27Å; L17-L90 PolarHBondContact O-N 3.46Å; V18-L90 HydrophobicContact CG1-CB 4.19Å; I19-L90 WeakPolarHBondContact CG1-O 3.2Å; I19-L90 PolarHBondContact N-O 3.28Å; L90-V92 HydrophobicContact CB-CG2 4.15Å; L90-I122 HydrophobicContact CB-CG2 4.47Å; L90-I122 HydrophobicContact CD1-CG2 4.11Å; L90-I122 HydrophobicContact CG-CG2 3.8Å; L90-A166 HydrophobicContact CD2-CB 4.33Å; L90-F167 HydrophobicContact CD1-CD1 3.7Å; L90-F167 HydrophobicContact CD1-CE1 3.55Å; L90-F167 HydrophobicContact CD1-CG 4.38Å; L90-F167 HydrophobicContact CD1-CZ 4.11Å; L90-F167 HydrophobicContact CD2-CD1 4.34Å; L90-F167 HydrophobicContact CD2-CD2 4.22Å; L90-F167 HydrophobicContact CD2-CE1 3.83Å; L90-F167 HydrophobicContact CD2-CE2 3.68Å; L90-F167 HydrophobicContact CD2-CZ 3.46Å; L90-F167 VanDerWaalsContact CD2-CZ 3.46Å; L90-F167 HydrophobicContact CG-CE1 4.35Å; L90-F167 HydrophobicContact CG-CZ 4.44Å
91	L	98.4	Very high	96	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	110.6	173.6	175	63.6	0	0	0	108.1	I19 L104 W107 L108 I121 I122 L123 C124 L150	I19-L91 HydrophobicContact CD1-CD1 4.05Å; I19-L91 HydrophobicContact CG1-CB 4.44Å; I19-L91 HydrophobicContact CG1-CD1 3.96Å; L91-L104 HydrophobicContact CD1-CD2 3.74Å; L91-L104 HydrophobicContact CD2-CD2 3.89Å; L91-L104 HydrophobicContact CG-CD2 3.52Å; L91-W107 HydrophobicContact CD1-CB 3.51Å; L91-W107 HydrophobicContact CD1-CG 4.43Å; L91-L108 HydrophobicContact CD2-CB 4.05Å; L91-L108 HydrophobicContact CD2-CD1 4.38Å; L91-I121 HydrophobicContact CB-CG2 3.91Å; L91-I122 PolarHBondContact N-O 2.9Å; L91-L123 HydrophobicContact CD2-CD1 4.1Å; L91-L123 HydrophobicContact CG-CD1 4.06Å; L91-L123 CarbonylContact O-C 3.3Å; L91-L123 WeakPolarHBondContact O-CA 3.46Å; L91-C124 PolarHBondContact O-N 3.22Å; L91-L150 HydrophobicContact CD2-CD1 4.14Å
92	V	98.6	Very high	96.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.8	-165.1	-168.1	0	0	0	0	111.8	V18 I19 K26 L29 L90 C124 N126	V18-V92 HydrophobicContact CG1-CG2 3.7Å; I19-V92 PolarHBondContact O-N 3.01Å; K26-V92 HydrophobicContact CG-CB 4.14Å; K26-V92 HydrophobicContact CG-CG2 4.23Å; L29-V92 HydrophobicContact CD1-CG1 3.79Å; L29-V92 HydrophobicContact CD1-CG2 3.96Å; L90-V92 HydrophobicContact CB-CG2 4.15Å; V92-C124 WeakPolarHBondContact CA-O 3.4Å; V92-C124 HydrophobicContact CG1-CB 4.49Å; V92-C124 HydrophobicContact CG2-CB 4.3Å; V92-N126 HydrophobicContact CG1-CB 3.8Å
93	Y	98.7	Very high	97.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	166.8	164.5	74.8	-78.4	0	0	0	110.5	I95 Y101 L104 L123 C124 N126 V136 A141 F152	Y93-I95 HydrophobicContact CE2-CG2 3.98Å; Y93-Y101 HydrophobicContact CD2-CD2 4.15Å; Y93-Y101 HydrophobicContact CE2-CD2 4.21Å; Y93-Y101 HydrophobicContact CG-CD2 4.37Å; Y93-L104 HydrophobicContact CD1-CD1 3.9Å; Y93-L104 HydrophobicContact CD1-CD2 4.36Å; Y93-L104 HydrophobicContact CG-CD1 4.13Å; Y93-L123 HydrophobicContact CD1-CD1 3.8Å; Y93-L123 HydrophobicContact CD1-CG 4.31Å; Y93-L123 HydrophobicContact CE1-CD1 4.06Å; Y93-L123 HydrophobicContact CE1-CD2 4.26Å; Y93-L123 HydrophobicContact CE1-CG 4.07Å; Y93-C124 WeakPolarHBondContact CD1-O 3.47Å; Y93-C124 PolarHBondContact N-O 3.29Å; Y93-N126 PolarHBondContact O-N 2.95Å; Y93-V136 HydrophobicContact CD2-CG2 4.47Å; Y93-V136 HydrophobicContact CE2-CB 3.88Å; Y93-V136 HydrophobicContact CE2-CG1 3.74Å; Y93-V136 HydrophobicContact CE2-CG2 4.28Å; Y93-A141 HydrophobicContact CE1-CB 4.1Å; Y93-A141 WeakPolarHBondContact OH-CB 3.36Å; Y93-F152 HydrophobicContact CE1-CE2 4.23Å
94	D	98.6	Very high	97.4	Very high	9 Å²	9	30.9 Å²	30.9	5%	0.048	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125.2	173.8	-179.9	-3.3	0	0	0	109.3	T24 T96 S97 T100 K127	T24-D94 HydrophobicContact CG2-CB 4.35Å; D94-T96 PolarHBondContact O-N 2.76Å; D94-T96 PolarHBondContact OD1-N 2.86Å; D94-T96 PolarHBondContact OD1-OG1 2.89Å; D94-T96 PolarHBondContact OD2-OG1 2.8Å; D94-S97 PolarHBondContact O-N 2.79Å; D94-T100 HydrophobicContact CB-CG2 4.36Å; D94-T100 PolarHBondContact N-OG1 3.48Å; D94-T100 PolarHBondContact O-OG1 2.87Å; D94-K127 WeakPolarHBondContact OD1-CD 3.06Å; D94-K127 WeakPolarHBondContact OD2-CD 3.37Å; D94-K127 WeakPolarHBondContact OD2-CE 3.35Å; D94-K127 IonicContact OD2-NZ 3.41Å; D94-K127 PolarHBondContact OD2-NZ 3.32Å
95	I	98.8	Very high	97.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-22.4	-178.7	66.6	157.5	0	0	0	113.2	Y93 S97 N126 K127 R134 E135 V136	Y93-I95 HydrophobicContact CE2-CG2 3.98Å; I95-S97 VanDerWaalsContact C-N 3.34Å; I95-N126 PolarHBondContact N-O 2.72Å; I95-K127 WeakPolarHBondContact CD1-O 3.16Å; I95-K127 WeakPolarHBondContact CG1-O 3.38Å; I95-R134 HydrophobicContact CD1-CB 4.49Å; I95-E135 PolarHBondContact O-N 2.77Å; I95-V136 PolarHBondContact O-N 3.27Å
96	T	98.6	Very high	98	Very high	27 Å²	27	28.6 Å²	28.6	17%	0.166	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	11.4	178.2	78.7	0	0	0	0	112.2	D94 L130 D133 E135	D94-T96 PolarHBondContact O-N 2.76Å; D94-T96 PolarHBondContact OD1-N 2.86Å; D94-T96 PolarHBondContact OD1-OG1 2.89Å; D94-T96 PolarHBondContact OD2-OG1 2.8Å; T96-L130 HydrophobicContact CG2-CB 3.58Å; T96-L130 HydrophobicContact CG2-CD1 4.24Å; T96-D133 WeakPolarHBondContact CA-O 3.35Å; T96-D133 VanDerWaalsContact CB-O 3.26Å; T96-D133 WeakPolarHBondContact CB-O 3.25Å; T96-D133 HydrophobicContact CG2-CB 3.89Å; T96-E135 VanDerWaalsContact O-CD 3.23Å
97	S	98.4	Very high	98	Very high	27 Å²	27	28.6 Å²	28.6	19%	0.189	15%	0.149	C	C	.	.			trans	-139.2	101.8	179.4	-177.9	0	0	0	0	112.3	D94 I95 E99 T100 Y101	D94-S97 PolarHBondContact O-N 2.79Å; I95-S97 VanDerWaalsContact C-N 3.34Å; S97-E99 PolarHBondContact O-N 3.36Å; S97-T100 PolarHBondContact O-N 3.42Å; S97-T100 VanDerWaalsContact O-N 3.14Å; S97-T100 PolarHBondContact O-OG1 3.46Å; S97-T100 WeakPolarHBondContact OG-CG2 3.39Å; S97-Y101 PolarHBondContact O-N 3.26Å
98	R	98.5	Very high	98	Very high	73 Å²	73	28.8 Å²	28.8	28%	0.275	15%	0.15	S	C	.	.	H	α-helix	trans	-53.4	-37.3	173	178.8	56.6	59.3	-179.8	7.2	112.8	T100 Y101 N102 E135 E140	R98-T100 PolarHBondContact O-N 3.16Å; R98-Y101 PolarHBondContact O-N 3.24Å; R98-N102 VanDerWaalsContact O-CG 3.24Å; R98-N102 PolarHBondContact O-N 3.43Å; R98-N102 PolarHBondContact O-OD1 3.49Å; R98-E135 HydrophobicContact CB-CB 4.42Å; R98-E135 VanDerWaalsContact CB-OE2 3.28Å; R98-E135 WeakPolarHBondContact CB-OE2 3.49Å; R98-E135 PolarHBondContact N-OE2 3.04Å; R98-E135 PolarHBondContact NH2-O 2.81Å; R98-E140 IonicContact CZ-OE1 2.64Å; R98-E140 IonicContact CZ-OE2 3.14Å; R98-E140 VanDerWaalsContact CZ-OE2 3.32Å; R98-E140 VanDerWaalsContact NH1-CD 3.27Å; R98-E140 IonicContact NH1-OE1 3.85Å; R98-E140 IonicContact NH1-OE2 3.26Å; R98-E140 PolarHBondContact NH1-OE2 3.12Å; R98-E140 VanDerWaalsContact NH2-CD 3.28Å; R98-E140 IonicContact NH2-OE1 3.2Å; R98-E140 PolarHBondContact NH2-OE1 2.98Å; R98-E140 IonicContact NH2-OE2 2.68Å; R98-E140 PolarHBondContact NH2-OE2 2.95Å; R98-E140 VanDerWaalsContact NH2-OE2 3.14Å
99	E	98.2	Very high	97.9	Very high	141 Å²	141	31.9 Å²	31.9	66%	0.659	17%	0.169	S	C	*	.	H	α-helix	trans	-60.8	-45.4	179.2	-172.3	-168	152	0	0	111.7	S97 Y101 N102 A103	S97-E99 PolarHBondContact O-N 3.36Å; E99-Y101 VanDerWaalsContact C-N 3.27Å; E99-Y101 PolarHBondContact O-N 2.85Å; E99-N102 PolarHBondContact O-N 3.28Å; E99-A103 PolarHBondContact O-N 3.07Å; E99-A103 VanDerWaalsContact O-N 3.11Å
100	T	98.2	Very high	97.7	Very high	9 Å²	9	32.6 Å²	32.6	6%	0.055	17%	0.172	C	C	.	.	H	α-helix	trans	-65.8	-33.7	-179.3	69.1	0	0	0	0	112.1	N21 T24 D94 S97 R98	N21-T100 HydrophobicContact CB-CG2 4.05Å; T24-T100 HydrophobicContact CG2-CG2 3.58Å; D94-T100 HydrophobicContact CB-CG2 4.36Å; D94-T100 PolarHBondContact N-OG1 3.48Å; D94-T100 PolarHBondContact O-OG1 2.87Å; S97-T100 PolarHBondContact O-N 3.42Å; S97-T100 VanDerWaalsContact O-N 3.14Å; S97-T100 PolarHBondContact O-OG1 3.46Å; S97-T100 WeakPolarHBondContact OG-CG2 3.39Å; R98-T100 PolarHBondContact O-N 3.16Å
101	Y	98.7	Very high	97.5	Very high	31 Å²	31	32.5 Å²	32.5	12%	0.122	17%	0.172	C	C	.	.	H	α-helix	trans	-67.6	-47.1	172.9	173.9	-96.1	0	0	0	112	Y93 S97 R98 E99 A103 L104 V136 E140 A141 F144	Y93-Y101 HydrophobicContact CD2-CD2 4.15Å; Y93-Y101 HydrophobicContact CE2-CD2 4.21Å; Y93-Y101 HydrophobicContact CG-CD2 4.37Å; S97-Y101 PolarHBondContact O-N 3.26Å; R98-Y101 PolarHBondContact O-N 3.24Å; E99-Y101 VanDerWaalsContact C-N 3.27Å; E99-Y101 PolarHBondContact O-N 2.85Å; Y101-A103 PolarHBondContact O-N 3.3Å; Y101-A103 VanDerWaalsContact O-N 3.14Å; Y101-L104 HydrophobicContact CD2-CD1 3.42Å; Y101-L104 VanDerWaalsContact CD2-CD1 3.42Å; Y101-L104 HydrophobicContact CE2-CD1 3.85Å; Y101-L104 HydrophobicContact CG-CD1 4.13Å; Y101-L104 WeakPolarHBondContact O-CB 3.31Å; Y101-L104 WeakPolarHBondContact O-CD1 3.21Å; Y101-L104 WeakPolarHBondContact O-CG 3.2Å; Y101-L104 PolarHBondContact O-N 2.93Å; Y101-V136 HydrophobicContact CD1-CG1 4.38Å; Y101-V136 HydrophobicContact CD2-CG1 3.61Å; Y101-V136 HydrophobicContact CE2-CG1 3.98Å; Y101-V136 HydrophobicContact CG-CG1 3.84Å; Y101-V136 HydrophobicContact CG-CG2 4.06Å; Y101-E140 PolarHBondContact OH-O 2.97Å; Y101-A141 HydrophobicContact CE2-CB 4.07Å; Y101-F144 HydrophobicContact CE2-CB 4.36Å; Y101-F144 WeakPolarHBondContact OH-CB 3.34Å
102	N	98.4	Very high	97.4	Very high	101 Å²	101	38.1 Å²	38.1	54%	0.54	19%	0.193	S	C	.	.	H	α-helix	trans	-61.5	-26.3	178.7	-69	-12.4	0	0	0	112.5	R98 E99 L104	R98-N102 VanDerWaalsContact O-CG 3.24Å; R98-N102 PolarHBondContact O-N 3.43Å; R98-N102 PolarHBondContact O-OD1 3.49Å; E99-N102 PolarHBondContact O-N 3.28Å; N102-L104 VanDerWaalsContact C-N 3.33Å
103	A	97.2	Very high	97.2	Very high	13 Å²	13	44.6 Å²	44.6	11%	0.107	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-12.1	176.4	0	0	0	0	0	114.4	N21 E99 Y101 T105 N106 W107	N21-A103 WeakPolarHBondContact ND2-CB 3.34Å; N21-A103 VanDerWaalsContact OD1-CB 3.32Å; N21-A103 WeakPolarHBondContact OD1-CB 3.45Å; E99-A103 PolarHBondContact O-N 3.07Å; E99-A103 VanDerWaalsContact O-N 3.11Å; Y101-A103 PolarHBondContact O-N 3.3Å; Y101-A103 VanDerWaalsContact O-N 3.14Å; A103-T105 VanDerWaalsContact C-N 3.29Å; A103-T105 PolarHBondContact O-N 3.23Å; A103-N106 PolarHBondContact O-N 3.43Å; A103-N106 VanDerWaalsContact O-N 3.14Å; A103-W107 VanDerWaalsContact O-CD1 3.24Å; A103-W107 PolarHBondContact O-N 2.9Å
104	L	98.2	Very high	96.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-55.2	-42	-175.5	-74.9	169.8	0	0	0	112.9	L91 Y93 Y101 N102 N106 W107 L108 L123 F144	L91-L104 HydrophobicContact CD1-CD2 3.74Å; L91-L104 HydrophobicContact CD2-CD2 3.89Å; L91-L104 HydrophobicContact CG-CD2 3.52Å; Y93-L104 HydrophobicContact CD1-CD1 3.9Å; Y93-L104 HydrophobicContact CD1-CD2 4.36Å; Y93-L104 HydrophobicContact CG-CD1 4.13Å; Y101-L104 HydrophobicContact CD2-CD1 3.42Å; Y101-L104 VanDerWaalsContact CD2-CD1 3.42Å; Y101-L104 HydrophobicContact CE2-CD1 3.85Å; Y101-L104 HydrophobicContact CG-CD1 4.13Å; Y101-L104 WeakPolarHBondContact O-CB 3.31Å; Y101-L104 WeakPolarHBondContact O-CD1 3.21Å; Y101-L104 WeakPolarHBondContact O-CG 3.2Å; Y101-L104 PolarHBondContact O-N 2.93Å; N102-L104 VanDerWaalsContact C-N 3.33Å; L104-N106 VanDerWaalsContact C-N 3.27Å; L104-N106 PolarHBondContact O-N 3.36Å; L104-W107 PolarHBondContact O-N 3.28Å; L104-W107 VanDerWaalsContact O-N 3.16Å; L104-L108 WeakPolarHBondContact O-CB 3.45Å; L104-L108 PolarHBondContact O-N 3.14Å; L104-L123 HydrophobicContact CD1-CD1 3.73Å; L104-L123 HydrophobicContact CD2-CD1 3.6Å; L104-L123 HydrophobicContact CG-CD1 4.32Å; L104-F144 HydrophobicContact CB-CE1 4.04Å; L104-F144 HydrophobicContact CB-CE2 4.46Å; L104-F144 HydrophobicContact CB-CZ 3.78Å; L104-F144 HydrophobicContact CD1-CD1 4.36Å; L104-F144 HydrophobicContact CD1-CE1 4.18Å
105	T	97.8	Very high	96.7	Very high	74 Å²	74	48 Å²	48	45%	0.454	25%	0.246	S	C	.	.	H	α-helix	trans	-55.1	-43.5	179.8	-55.2	0	0	0	0	111.5	A103 L108 T109	A103-T105 VanDerWaalsContact C-N 3.29Å; A103-T105 PolarHBondContact O-N 3.23Å; T105-L108 PolarHBondContact O-N 3.31Å; T105-T109 WeakPolarHBondContact O-CB 3.31Å; T105-T109 PolarHBondContact O-N 2.91Å; T105-T109 PolarHBondContact O-OG1 3.15Å
106	N	95.1	Very high	96.3	Very high	94 Å²	94	48.4 Å²	48.4	50%	0.503	25%	0.249	S	C	.	.	H	α-helix	trans	-65.8	-43.6	-179.9	-65	-31.3	0	0	0	111.8	A103 L104 L108 T109 D110	A103-N106 PolarHBondContact O-N 3.43Å; A103-N106 VanDerWaalsContact O-N 3.14Å; L104-N106 VanDerWaalsContact C-N 3.27Å; L104-N106 PolarHBondContact O-N 3.36Å; N106-L108 VanDerWaalsContact C-N 3.35Å; N106-T109 PolarHBondContact O-N 2.84Å; N106-D110 PolarHBondContact O-N 2.82Å; N106-D110 VanDerWaalsContact O-N 3.11Å
107	W	95.4	Very high	95.9	Very high	1 Å²	1	54.4 Å²	54.4	0%	0.004	28%	0.275	C	S	.	.	H	α-helix	trans	-65.9	-38.2	177.5	-71	107.7	0	0	0	112.3	I19 G20 N21 R76 T79 L91 A103 L104 A111	I19-W107 HydrophobicContact CB-CE3 4.05Å; I19-W107 HydrophobicContact CD1-CB 4.4Å; G20-W107 WeakPolarHBondContact O-CZ2 3.17Å; N21-W107 PolarHBondContact OD1-NE1 3.46Å; R76-W107 HydrophobicContact CG-CH2 4.3Å; R76-W107 VanDerWaalsContact NH2-NE1 3.17Å; T79-W107 HydrophobicContact CG2-CZ3 3.99Å; L91-W107 HydrophobicContact CD1-CB 3.51Å; L91-W107 HydrophobicContact CD1-CG 4.43Å; A103-W107 VanDerWaalsContact O-CD1 3.24Å; A103-W107 PolarHBondContact O-N 2.9Å; L104-W107 PolarHBondContact O-N 3.28Å; L104-W107 VanDerWaalsContact O-N 3.16Å; W107-A111 WeakPolarHBondContact O-CB 3.42Å; W107-A111 PolarHBondContact O-N 3.07Å
108	L	97	Very high	95.6	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-67.7	-42.9	177	179.1	60.1	0	0	0	111.9	L91 L104 T105 N106 A111 R112 I121 F144 N148 L150	L91-L108 HydrophobicContact CD2-CB 4.05Å; L91-L108 HydrophobicContact CD2-CD1 4.38Å; L104-L108 WeakPolarHBondContact O-CB 3.45Å; L104-L108 PolarHBondContact O-N 3.14Å; T105-L108 PolarHBondContact O-N 3.31Å; N106-L108 VanDerWaalsContact C-N 3.35Å; L108-A111 WeakPolarHBondContact O-CB 3.45Å; L108-A111 PolarHBondContact O-N 2.86Å; L108-R112 HydrophobicContact CD1-CG 4.3Å; L108-R112 PolarHBondContact O-N 2.8Å; L108-I121 HydrophobicContact CD1-CD1 3.71Å; L108-F144 HydrophobicContact CD2-CE1 4.44Å; L108-F144 HydrophobicContact CD2-CZ 4.1Å; L108-N148 HydrophobicContact CD2-CB 3.79Å; L108-N148 WeakPolarHBondContact CD2-OD1 3.34Å; L108-L150 HydrophobicContact CD1-CD1 4.34Å; L108-L150 HydrophobicContact CD1-CD2 3.94Å; L108-L150 HydrophobicContact CD2-CD1 4.19Å
109	T	96.1	Very high	95.5	Very high	65 Å²	65	52.4 Å²	52.4	40%	0.399	27%	0.267	S	S	.	.	H	α-helix	trans	-59.2	-48.9	175.1	-64.9	0	0	0	0	111	T105 N106 A111 R112 M113	T105-T109 WeakPolarHBondContact O-CB 3.31Å; T105-T109 PolarHBondContact O-N 2.91Å; T105-T109 PolarHBondContact O-OG1 3.15Å; N106-T109 PolarHBondContact O-N 2.84Å; T109-A111 VanDerWaalsContact C-N 3.29Å; T109-A111 PolarHBondContact O-N 3.12Å; T109-R112 PolarHBondContact O-N 3.22Å; T109-M113 HydrophobicContact CG2-CG 4.36Å; T109-M113 HydrophobicContact CG2-SD 3.65Å; T109-M113 WeakPolarHBondContact O-CB 3.33Å; T109-M113 WeakPolarHBondContact O-CG 2.91Å; T109-M113 PolarHBondContact O-N 3.23Å
110	D	94.1	Very high	95.5	Very high	14 Å²	14	46 Å²	46	8%	0.075	24%	0.238	C	C	.	.	H	α-helix	trans	-59.1	-41.4	176.1	-84	0.7	0	0	0	111.1	R80 Y83 N106 M113 L114	R80-D110 IonicContact CZ-OD1 2.75Å; R80-D110 IonicContact CZ-OD2 3.61Å; R80-D110 IonicContact NE-OD1 3.15Å; R80-D110 IonicContact NE-OD2 3.55Å; R80-D110 PolarHBondContact NE-OD2 3.11Å; R80-D110 IonicContact NH2-OD1 3.52Å; R80-D110 PolarHBondContact NH2-OD1 3.13Å; R80-D110 IonicContact NH2-OD2 2.9Å; R80-D110 PolarHBondContact NH2-OD2 3.31Å; R80-D110 VanDerWaalsContact NH2-OD2 3.15Å; Y83-D110 HydrophobicContact CE1-CB 4.37Å; N106-D110 PolarHBondContact O-N 2.82Å; N106-D110 VanDerWaalsContact O-N 3.11Å; D110-M113 PolarHBondContact O-N 2.93Å; D110-L114 HydrophobicContact CB-CD1 4.39Å; D110-L114 VanDerWaalsContact O-CB 3.27Å; D110-L114 WeakPolarHBondContact O-CB 3.5Å; D110-L114 WeakPolarHBondContact O-CG 3.34Å; D110-L114 PolarHBondContact O-N 2.84Å
111	A	95.1	Very high	95.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.9	-50.1	177.2	0	0	0	0	0	113	I19 Y83 W107 L108 T109 M113 A115 I121	I19-A111 HydrophobicContact CD1-CB 3.9Å; Y83-A111 HydrophobicContact CD1-CB 4.27Å; Y83-A111 HydrophobicContact CE1-CB 3.79Å; W107-A111 WeakPolarHBondContact O-CB 3.42Å; W107-A111 PolarHBondContact O-N 3.07Å; L108-A111 WeakPolarHBondContact O-CB 3.45Å; L108-A111 PolarHBondContact O-N 2.86Å; T109-A111 VanDerWaalsContact C-N 3.29Å; T109-A111 PolarHBondContact O-N 3.12Å; A111-M113 VanDerWaalsContact C-N 3.34Å; A111-M113 PolarHBondContact O-N 3.22Å; A111-A115 WeakPolarHBondContact O-CB 3.46Å; A111-A115 PolarHBondContact O-N 2.99Å; A111-I121 HydrophobicContact CB-CD1 3.89Å
112	R	95.7	Very high	95.5	Very high	117 Å²	117	44.7 Å²	44.7	44%	0.442	23%	0.232	S	C	.	.	H	α-helix	trans	-67.5	-33.9	-179.6	-73.7	177.3	164.9	157.8	-2.9	112.9	L108 T109 N148	L108-R112 HydrophobicContact CD1-CG 4.3Å; L108-R112 PolarHBondContact O-N 2.8Å; T109-R112 PolarHBondContact O-N 3.22Å; R112-N148 PolarHBondContact NH1-OD1 2.8Å; R112-N148 PolarHBondContact NH2-O 2.73Å
113	M	94.5	Very high	95.5	Very high	137 Å²	137	39.9 Å²	39.9	68%	0.675	21%	0.206	S	C	*	.	H	α-helix	trans	-78	-35	-178.8	-76.6	179.6	46.8	0	0	113.5	T109 D110 A111	T109-M113 HydrophobicContact CG2-CG 4.36Å; T109-M113 HydrophobicContact CG2-SD 3.65Å; T109-M113 WeakPolarHBondContact O-CB 3.33Å; T109-M113 WeakPolarHBondContact O-CG 2.91Å; T109-M113 PolarHBondContact O-N 3.23Å; D110-M113 PolarHBondContact O-N 2.93Å; A111-M113 VanDerWaalsContact C-N 3.34Å; A111-M113 PolarHBondContact O-N 3.22Å
114	L	93.4	Very high	95.6	Very high	62 Å²	62	39.2 Å²	39.2	33%	0.325	20%	0.201	S	C	.	.	H	α-helix	trans	-111	-20.5	-165.5	-56.7	176	0	0	0	114	R80 Y83 R84 D110	R80-L114 HydrophobicContact CB-CD1 3.9Å; R80-L114 HydrophobicContact CG-CD1 3.56Å; Y83-L114 VanDerWaalsContact CB-CB 3.46Å; Y83-L114 HydrophobicContact CD1-CB 4.4Å; Y83-L114 HydrophobicContact CD2-CD1 4.35Å; Y83-L114 HydrophobicContact CG-CB 3.96Å; Y83-L114 HydrophobicContact CG-CD1 4.39Å; R84-L114 WeakPolarHBondContact CA-O 3.3Å; D110-L114 HydrophobicContact CB-CD1 4.39Å; D110-L114 VanDerWaalsContact O-CB 3.27Å; D110-L114 WeakPolarHBondContact O-CB 3.5Å; D110-L114 WeakPolarHBondContact O-CG 3.34Å; D110-L114 PolarHBondContact O-N 2.84Å
115	A	94.3	Very high	95.7	Very high	18 Å²	18	39.2 Å²	39.2	15%	0.149	20%	0.201	C	C	.	.	S	Bend	trans	-89.9	-165.6	-179.1	0	0	0	0	0	113.1	Y83 A86 A111 I119	Y83-A115 HydrophobicContact CD1-CB 4.39Å; Y83-A115 VanDerWaalsContact O-CA 3.26Å; Y83-A115 WeakPolarHBondContact O-CA 3.46Å; Y83-A115 WeakPolarHBondContact O-CB 3.35Å; A86-A115 HydrophobicContact CB-CB 4.27Å; A111-A115 WeakPolarHBondContact O-CB 3.46Å; A111-A115 PolarHBondContact O-N 2.99Å; A115-I119 HydrophobicContact CB-CB 4.32Å; A115-I119 HydrophobicContact CB-CD1 3.45Å; A115-I119 VanDerWaalsContact CB-CD1 3.45Å; A115-I119 HydrophobicContact CB-CG1 4.45Å; A115-I119 HydrophobicContact CB-CG2 4.46Å
116	S	90.1	Very high	95.7	Very high	9 Å²	9	35.9 Å²	35.9	6%	0.063	18%	0.18	C	C	.	.			trans	-64.2	144.2	175	68.8	0	0	0	0	110.5	A86 N118 I119 G189	A86-S116 VanDerWaalsContact O-CB 3.28Å; A86-S116 WeakPolarHBondContact O-CB 3.38Å; A86-S116 PolarHBondContact O-N 2.9Å; A86-S116 PolarHBondContact O-OG 2.81Å; S116-N118 PolarHBondContact O-N 3.27Å; S116-N118 VanDerWaalsContact O-N 3.11Å; S116-I119 WeakPolarHBondContact O-CB 3.22Å; S116-I119 WeakPolarHBondContact O-CG2 3.32Å; S116-I119 PolarHBondContact O-N 3.2Å; S116-I119 WeakPolarHBondContact OG-CA 3.4Å; S116-I119 PolarHBondContact OG-N 3.14Å; S116-G189 WeakPolarHBondContact CB-O 3.25Å
117	Q	89.6	Confident	95.8	Very high	153 Å²	153	34 Å²	34	72%	0.715	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-29.6	179.4	-174.1	174	27.8	0	0	112.8
118	N	91.8	Very high	96	Very high	37 Å²	37	36.9 Å²	36.9	20%	0.198	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	17.6	-178.4	-68.1	-17.4	0	0	0	112.9	S116 V120 K177 E182 L183	S116-N118 PolarHBondContact O-N 3.27Å; S116-N118 VanDerWaalsContact O-N 3.11Å; N118-V120 PolarHBondContact O-N 3.33Å; N118-K177 PolarHBondContact O-NZ 2.98Å; N118-E182 PolarHBondContact ND2-O 3.05Å; N118-L183 HydrophobicContact CB-CD1 4.1Å
119	I	96.7	Very high	96.1	Very high	21 Å²	21	39.5 Å²	39.5	11%	0.108	20%	0.195	C	C	.	.			trans	-50.7	130.9	-175.6	-174	163.8	0	0	0	111.2	A86 A89 A115 S116 I121	A86-I119 HydrophobicContact CB-CD1 4.13Å; A89-I119 HydrophobicContact CB-CD1 3.97Å; A115-I119 HydrophobicContact CB-CB 4.32Å; A115-I119 HydrophobicContact CB-CD1 3.45Å; A115-I119 VanDerWaalsContact CB-CD1 3.45Å; A115-I119 HydrophobicContact CB-CG1 4.45Å; A115-I119 HydrophobicContact CB-CG2 4.46Å; S116-I119 WeakPolarHBondContact O-CB 3.22Å; S116-I119 WeakPolarHBondContact O-CG2 3.32Å; S116-I119 PolarHBondContact O-N 3.2Å; S116-I119 WeakPolarHBondContact OG-CA 3.4Å; S116-I119 PolarHBondContact OG-N 3.14Å; I119-I121 HydrophobicContact CD1-CG1 4.34Å; I119-I121 HydrophobicContact CG1-CG1 3.94Å; I119-I121 HydrophobicContact CG2-CD1 3.99Å; I119-I121 HydrophobicContact CG2-CG1 4.13Å
120	V	98.2	Very high	96.2	Very high	6 Å²	6	39.5 Å²	39.5	4%	0.036	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	124.5	174.6	176.5	0	0	0	0	108.4	A87 G88 A89 N118 M151 C170 K173 I174 K177	A87-V120 PolarHBondContact O-N 3.22Å; G88-V120 CarbonylContact C-O 3.59Å; G88-V120 WeakPolarHBondContact CA-O 3.36Å; A89-V120 PolarHBondContact N-O 3.3Å; N118-V120 PolarHBondContact O-N 3.33Å; V120-M151 HydrophobicContact CG1-CE 3.33Å; V120-C170 PolarHBondContact O-SG 2.98Å; V120-K173 HydrophobicContact CG1-CB 3.84Å; V120-K173 HydrophobicContact CG1-CG 3.73Å; V120-K173 HydrophobicContact CG2-CG 4.08Å; V120-I174 HydrophobicContact CB-CD1 4.31Å; V120-I174 HydrophobicContact CB-CG1 3.72Å; V120-I174 HydrophobicContact CG1-CG1 4.38Å; V120-I174 HydrophobicContact CG2-CG1 3.53Å; V120-K177 HydrophobicContact CG2-CD 4Å
121	I	98.6	Very high	96.4	Very high	12 Å²	12	43.3 Å²	43.3	6%	0.062	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.6	-176.1	-55.5	177.5	0	0	0	109.4	A89 L91 L108 A111 I119 L150 M151	A89-I121 HydrophobicContact CB-CG1 4.28Å; A89-I121 WeakPolarHBondContact O-CA 3.42Å; L91-I121 HydrophobicContact CB-CG2 3.91Å; L108-I121 HydrophobicContact CD1-CD1 3.71Å; A111-I121 HydrophobicContact CB-CD1 3.89Å; I119-I121 HydrophobicContact CD1-CG1 4.34Å; I119-I121 HydrophobicContact CG1-CG1 3.94Å; I119-I121 HydrophobicContact CG2-CD1 3.99Å; I119-I121 HydrophobicContact CG2-CG1 4.13Å; I121-L150 HydrophobicContact CB-CD2 3.88Å; I121-L150 HydrophobicContact CG2-CD2 3.99Å; I121-M151 PolarHBondContact O-N 2.85Å
122	I	98.8	Very high	96.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.4	168.4	-175.7	161.8	0	0	0	109.5	A89 L90 L91 M151 L153 A166 Q169 C170	A89-I122 PolarHBondContact O-N 2.91Å; L90-I122 HydrophobicContact CB-CG2 4.47Å; L90-I122 HydrophobicContact CD1-CG2 4.11Å; L90-I122 HydrophobicContact CG-CG2 3.8Å; L91-I122 PolarHBondContact N-O 2.9Å; I122-M151 HydrophobicContact CB-CB 4.06Å; I122-M151 HydrophobicContact CB-CE 4.12Å; I122-M151 HydrophobicContact CD1-CB 4Å; I122-M151 HydrophobicContact CG1-CB 3.8Å; I122-L153 HydrophobicContact CD1-CB 4.49Å; I122-L153 HydrophobicContact CD1-CD1 3.86Å; I122-L153 HydrophobicContact CD1-CG 4.07Å; I122-A166 HydrophobicContact CD1-CB 4.18Å; I122-Q169 HydrophobicContact CD1-CB 4.46Å; I122-C170 HydrophobicContact CG2-CB 4.19Å
123	L	98.9	Very high	96.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	129.4	169.5	179.4	68	0	0	0	109.2	L91 Y93 L104 A141 F144 A145 L150 M151 F152 L153	L91-L123 HydrophobicContact CD2-CD1 4.1Å; L91-L123 HydrophobicContact CG-CD1 4.06Å; L91-L123 CarbonylContact O-C 3.3Å; L91-L123 WeakPolarHBondContact O-CA 3.46Å; Y93-L123 HydrophobicContact CD1-CD1 3.8Å; Y93-L123 HydrophobicContact CD1-CG 4.31Å; Y93-L123 HydrophobicContact CE1-CD1 4.06Å; Y93-L123 HydrophobicContact CE1-CD2 4.26Å; Y93-L123 HydrophobicContact CE1-CG 4.07Å; L104-L123 HydrophobicContact CD1-CD1 3.73Å; L104-L123 HydrophobicContact CD2-CD1 3.6Å; L104-L123 HydrophobicContact CG-CD1 4.32Å; L123-A141 HydrophobicContact CD2-CB 4.45Å; L123-A141 WeakPolarHBondContact CD2-O 3.47Å; L123-F144 HydrophobicContact CD2-CD1 3.88Å; L123-A145 HydrophobicContact CB-CB 4.4Å; L123-A145 HydrophobicContact CD2-CB 3.92Å; L123-L150 HydrophobicContact CB-CD1 4.29Å; L123-M151 PolarHBondContact N-O 2.8Å; L123-F152 HydrophobicContact CB-CD2 3.97Å; L123-F152 HydrophobicContact CD2-CD2 3.67Å; L123-F152 HydrophobicContact CD2-CE2 4.02Å; L123-F152 HydrophobicContact CG-CD2 3.78Å; L123-F152 HydrophobicContact CG-CE2 4.2Å; L123-F152 WeakPolarHBondContact O-CA 3.41Å; L123-L153 PolarHBondContact O-N 2.91Å
124	C	98.9	Very high	96.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	111.6	178.4	-60.4	0	0	0	0	110.2	L91 V92 Y93 N126 L153 T155	L91-C124 PolarHBondContact O-N 3.22Å; V92-C124 WeakPolarHBondContact CA-O 3.4Å; V92-C124 HydrophobicContact CG1-CB 4.49Å; V92-C124 HydrophobicContact CG2-CB 4.3Å; Y93-C124 WeakPolarHBondContact CD1-O 3.47Å; Y93-C124 PolarHBondContact N-O 3.29Å; C124-N126 PolarHBondContact O-N 2.83Å; C124-L153 VanDerWaalsContact CA-O 3.28Å; C124-L153 WeakPolarHBondContact CA-O 3.47Å; C124-T155 HydrophobicContact CB-CG2 4.34Å
125	G	98.9	Very high	97.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	98.7	165.3	0	0	0	0	0	109.8	L153 E154 T155	G125-L153 PolarHBondContact N-O 3.03Å; G125-E154 CarbonylContact O-C 3.48Å; G125-E154 WeakPolarHBondContact O-CA 3.34Å; G125-E154 WeakPolarHBondContact O-CB 3.42Å; G125-T155 PolarHBondContact O-N 3.23Å
126	N	98.8	Very high	97.3	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.016	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	167	-174.5	-167.8	38.8	0	0	0	112.5	T24 L29 V92 Y93 I95 C124 T155 A157	T24-N126 WeakPolarHBondContact O-CB 3.26Å; T24-N126 PolarHBondContact O-ND2 2.91Å; L29-N126 HydrophobicContact CD1-CB 4.33Å; V92-N126 HydrophobicContact CG1-CB 3.8Å; Y93-N126 PolarHBondContact O-N 2.95Å; I95-N126 PolarHBondContact N-O 2.72Å; C124-N126 PolarHBondContact O-N 2.83Å; N126-T155 CarbonylContact C-O 3.45Å; N126-T155 VanDerWaalsContact CA-O 3.29Å; N126-T155 WeakPolarHBondContact CA-O 3.44Å; N126-T155 PolarHBondContact OD1-O 3.43Å; N126-T155 PolarHBondContact OD1-OG1 3.32Å; N126-T155 VanDerWaalsContact OD1-OG1 3.04Å; N126-A157 PolarHBondContact OD1-N 2.86Å
127	K	98.2	Very high	97.7	Very high	56 Å²	56	48.3 Å²	48.3	24%	0.243	26%	0.256	C	S	.	.			trans	67.6	36.1	-174.8	-47.9	-167.4	-166	165	0	113.4	G23 D94 I95 D129 L130 T155	G23-K127 VanDerWaalsContact O-CE 3.24Å; G23-K127 WeakPolarHBondContact O-CE 3.37Å; G23-K127 PolarHBondContact O-NZ 3.36Å; D94-K127 WeakPolarHBondContact OD1-CD 3.06Å; D94-K127 WeakPolarHBondContact OD2-CD 3.37Å; D94-K127 WeakPolarHBondContact OD2-CE 3.35Å; D94-K127 IonicContact OD2-NZ 3.41Å; D94-K127 PolarHBondContact OD2-NZ 3.32Å; I95-K127 WeakPolarHBondContact CD1-O 3.16Å; I95-K127 WeakPolarHBondContact CG1-O 3.38Å; K127-D129 WeakPolarHBondContact CA-OD1 3.46Å; K127-D129 PolarHBondContact O-N 3.33Å; K127-D129 VanDerWaalsContact O-N 3.08Å; K127-L130 HydrophobicContact CB-CD1 4.13Å; K127-L130 HydrophobicContact CB-CG 4.33Å; K127-L130 HydrophobicContact CD-CD1 3.99Å; K127-L130 WeakPolarHBondContact O-CB 3.18Å; K127-L130 PolarHBondContact O-N 2.92Å; K127-T155 PolarHBondContact N-O 2.84Å; K127-T155 VanDerWaalsContact N-O 3.1Å
128	K	98.6	Very high	98.1	Very high	61 Å²	61	46.2 Å²	46.2	27%	0.265	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-55.5	-24.4	174.9	-168.8	-177.4	179.8	-172.3	0	113.7	L130 D131 E154 T155 E161	K128-L130 PolarHBondContact O-N 2.8Å; K128-D131 PolarHBondContact O-N 2.85Å; K128-E154 HydrophobicContact CB-CB 4.44Å; K128-E154 HydrophobicContact CD-CB 3.82Å; K128-E154 HydrophobicContact CG-CB 4.3Å; K128-T155 WeakPolarHBondContact CB-O 3.44Å; K128-T155 PolarHBondContact N-O 2.94Å; K128-E161 IonicContact NZ-OE1 2.78Å; K128-E161 PolarHBondContact NZ-OE1 2.83Å; K128-E161 IonicContact NZ-OE2 2.76Å
129	D	98.4	Very high	98.4	Very high	59 Å²	59	49.1 Å²	49.1	32%	0.316	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-60.7	-20	171.2	50.4	-72.9	0	0	0	114.1	K127 S156 L158 T159	K127-D129 WeakPolarHBondContact CA-OD1 3.46Å; K127-D129 PolarHBondContact O-N 3.33Å; K127-D129 VanDerWaalsContact O-N 3.08Å; D129-S156 VanDerWaalsContact CG-OG 3.29Å; D129-S156 VanDerWaalsContact OD1-CB 3.29Å; D129-S156 WeakPolarHBondContact OD1-CB 3.04Å; D129-S156 PolarHBondContact OD1-OG 3.49Å; D129-L158 HydrophobicContact CB-CD2 4.25Å; D129-L158 VanDerWaalsContact OD2-CD2 3.29Å; D129-L158 WeakPolarHBondContact OD2-CD2 3.44Å; D129-T159 HydrophobicContact CB-CG2 4.17Å
130	L	98.1	Very high	98.5	Very high	65 Å²	65	50.3 Å²	50.3	34%	0.34	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-99.5	34.7	177.2	-54.7	-178.6	0	0	0	112.5	T96 K127 K128 A132 D133	T96-L130 HydrophobicContact CG2-CB 3.58Å; T96-L130 HydrophobicContact CG2-CD1 4.24Å; K127-L130 HydrophobicContact CB-CD1 4.13Å; K127-L130 HydrophobicContact CB-CG 4.33Å; K127-L130 HydrophobicContact CD-CD1 3.99Å; K127-L130 WeakPolarHBondContact O-CB 3.18Å; K127-L130 PolarHBondContact O-N 2.92Å; K128-L130 PolarHBondContact O-N 2.8Å; L130-A132 PolarHBondContact O-N 2.81Å; L130-A132 VanDerWaalsContact O-N 3.08Å; L130-D133 PolarHBondContact O-N 2.85Å
131	D	98.1	Very high	98.5	Very high	93 Å²	93	50 Å²	50	50%	0.497	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-56.5	-28.3	-175	-165.7	63.3	0	0	0	114	K128 D133 R134	K128-D131 PolarHBondContact O-N 2.85Å; D131-D133 PolarHBondContact O-N 3Å; D131-R134 WeakPolarHBondContact O-CB 3.47Å; D131-R134 PolarHBondContact O-N 3.34Å; D131-R134 IonicContact OD1-CZ 2.63Å; D131-R134 IonicContact OD1-NE 3.58Å; D131-R134 PolarHBondContact OD1-NE 3.5Å; D131-R134 IonicContact OD1-NH2 2.66Å; D131-R134 PolarHBondContact OD1-NH2 3.41Å
132	A	98.4	Very high	98.5	Very high	101 Å²	101	51.4 Å²	51.4	84%	0.835	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-63.9	-27.4	175.9	0	0	0	0	0	113.5	L130	L130-A132 PolarHBondContact O-N 2.81Å; L130-A132 VanDerWaalsContact O-N 3.08Å
133	D	98.5	Very high	98.5	Very high	108 Å²	108	58 Å²	58	58%	0.578	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-102	17	-179.3	-59.1	-48.7	0	0	0	111.8	T96 L130 D131 E135	T96-D133 WeakPolarHBondContact CA-O 3.35Å; T96-D133 VanDerWaalsContact CB-O 3.26Å; T96-D133 WeakPolarHBondContact CB-O 3.25Å; T96-D133 HydrophobicContact CG2-CB 3.89Å; L130-D133 PolarHBondContact O-N 2.85Å; D131-D133 PolarHBondContact O-N 3Å; D133-E135 PolarHBondContact O-N 2.93Å
134	R	98.7	Very high	98.5	Very high	63 Å²	63	59 Å²	59	24%	0.238	30%	0.303	C	S	.	.			trans	-61.4	123	-176	177.6	-178.4	-69.5	-87.8	7.3	112	I95 D131 V136 E154	I95-R134 HydrophobicContact CD1-CB 4.49Å; D131-R134 WeakPolarHBondContact O-CB 3.47Å; D131-R134 PolarHBondContact O-N 3.34Å; D131-R134 IonicContact OD1-CZ 2.63Å; D131-R134 IonicContact OD1-NE 3.58Å; D131-R134 PolarHBondContact OD1-NE 3.5Å; D131-R134 IonicContact OD1-NH2 2.66Å; D131-R134 PolarHBondContact OD1-NH2 3.41Å; R134-V136 WeakPolarHBondContact CD-O 3.34Å; R134-V136 WeakPolarHBondContact CG-O 3.24Å; R134-V136 PolarHBondContact NH1-O 2.96Å; R134-E154 IonicContact CZ-OE1 3.97Å; R134-E154 IonicContact CZ-OE2 3.32Å; R134-E154 IonicContact NH1-OE1 3.99Å; R134-E154 PolarHBondContact NH1-OE1 3.46Å; R134-E154 IonicContact NH1-OE2 3.13Å; R134-E154 IonicContact NH2-OE1 2.69Å; R134-E154 PolarHBondContact NH2-OE1 3.02Å; R134-E154 IonicContact NH2-OE2 2.76Å; R134-E154 PolarHBondContact NH2-OE2 3.42Å
135	E	98.6	Very high	98.5	Very high	106 Å²	106	59 Å²	59	50%	0.495	30%	0.303	S	S	.	.			trans	-100.7	-25.4	171.5	-65.8	-171.7	178	0	0	112.4	I95 T96 R98 D133	I95-E135 PolarHBondContact O-N 2.77Å; T96-E135 VanDerWaalsContact O-CD 3.23Å; R98-E135 HydrophobicContact CB-CB 4.42Å; R98-E135 VanDerWaalsContact CB-OE2 3.28Å; R98-E135 WeakPolarHBondContact CB-OE2 3.49Å; R98-E135 PolarHBondContact N-OE2 3.04Å; R98-E135 PolarHBondContact NH2-O 2.81Å; D133-E135 PolarHBondContact O-N 2.93Å
136	V	98.7	Very high	98.5	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.337	C	S	.	.	S	Bend	trans	-114.7	116.4	-177.3	-173.1	0	0	0	0	109.8	Y93 I95 Y101 R134 E140 A141	Y93-V136 HydrophobicContact CD2-CG2 4.47Å; Y93-V136 HydrophobicContact CE2-CB 3.88Å; Y93-V136 HydrophobicContact CE2-CG1 3.74Å; Y93-V136 HydrophobicContact CE2-CG2 4.28Å; I95-V136 PolarHBondContact O-N 3.27Å; Y101-V136 HydrophobicContact CD1-CG1 4.38Å; Y101-V136 HydrophobicContact CD2-CG1 3.61Å; Y101-V136 HydrophobicContact CE2-CG1 3.98Å; Y101-V136 HydrophobicContact CG-CG1 3.84Å; Y101-V136 HydrophobicContact CG-CG2 4.06Å; R134-V136 WeakPolarHBondContact CD-O 3.34Å; R134-V136 WeakPolarHBondContact CG-O 3.24Å; R134-V136 PolarHBondContact NH1-O 2.96Å; V136-E140 WeakPolarHBondContact CA-OE1 3.47Å; V136-E140 HydrophobicContact CG1-CG 3.71Å; V136-A141 HydrophobicContact CG1-CB 4.33Å
137	T	98.6	Very high	98.5	Very high	70 Å²	70	73.2 Å²	73.2	43%	0.429	37%	0.369	S	S	.	.			trans	-68.3	150.2	-179.7	65	0	0	0	0	111.8	L139 E140 A141	T137-L139 PolarHBondContact O-N 3.11Å; T137-E140 PolarHBondContact N-OE1 2.8Å; T137-E140 WeakPolarHBondContact O-CG 3.44Å; T137-E140 PolarHBondContact O-N 3.14Å; T137-E140 VanDerWaalsContact OG1-CG 3.27Å; T137-E140 WeakPolarHBondContact OG1-CG 3.3Å; T137-E140 PolarHBondContact OG1-N 3.28Å; T137-E140 PolarHBondContact OG1-OE1 3.31Å; T137-E140 VanDerWaalsContact OG1-OE1 3.04Å; T137-A141 PolarHBondContact O-N 3.33Å
138	F	98.5	Very high	98.5	Very high	110 Å²	110	72.2 Å²	72.2	48%	0.482	37%	0.367	S	S	.	.	H	α-helix	trans	-56.6	-40.2	172.2	-178.6	-87.5	0	0	0	111.5	S142 F152 E154	F138-S142 WeakPolarHBondContact O-CB 3.45Å; F138-S142 PolarHBondContact O-N 3.37Å; F138-F152 HydrophobicContact CD1-CE1 4.41Å; F138-F152 AromaticContact CD2-CE1 3.69Å; F138-F152 HydrophobicContact CD2-CE1 3.69Å; F138-F152 HydrophobicContact CD2-CZ 4.13Å; F138-F152 HydrophobicContact CE1-CE1 4.2Å; F138-F152 HydrophobicContact CE2-CD1 4.14Å; F138-F152 AromaticContact CE2-CE1 3.44Å; F138-F152 HydrophobicContact CE2-CE1 3.44Å; F138-F152 VanDerWaalsContact CE2-CE1 3.44Å; F138-F152 HydrophobicContact CE2-CZ 4.18Å; F138-F152 HydrophobicContact CG-CE1 4.17Å; F138-F152 HydrophobicContact CZ-CD1 4.09Å; F138-F152 AromaticContact CZ-CE1 3.72Å; F138-F152 HydrophobicContact CZ-CE1 3.72Å; F138-E154 HydrophobicContact CD2-CG 4.01Å; F138-E154 HydrophobicContact CE2-CG 4.38Å
139	L	98.4	Very high	98.4	Very high	98 Å²	98	77.9 Å²	77.9	51%	0.513	39%	0.394	S	S	.	.	H	α-helix	trans	-64.7	-44.5	-175.6	-179.4	59.7	0	0	0	112.5	T137 R143	T137-L139 PolarHBondContact O-N 3.11Å; L139-R143 WeakPolarHBondContact O-CG 3.18Å; L139-R143 PolarHBondContact O-N 2.93Å
140	E	98.4	Very high	98.4	Very high	46 Å²	46	76.1 Å²	76.1	22%	0.215	38%	0.384	C	S	.	.	H	α-helix	trans	-69.8	-39.9	-179.5	74.3	-170.1	121.3	0	0	112.3	R98 Y101 V136 T137 R143 F144	R98-E140 IonicContact CZ-OE1 2.64Å; R98-E140 IonicContact CZ-OE2 3.14Å; R98-E140 VanDerWaalsContact CZ-OE2 3.32Å; R98-E140 VanDerWaalsContact NH1-CD 3.27Å; R98-E140 IonicContact NH1-OE1 3.85Å; R98-E140 IonicContact NH1-OE2 3.26Å; R98-E140 PolarHBondContact NH1-OE2 3.12Å; R98-E140 VanDerWaalsContact NH2-CD 3.28Å; R98-E140 IonicContact NH2-OE1 3.2Å; R98-E140 PolarHBondContact NH2-OE1 2.98Å; R98-E140 IonicContact NH2-OE2 2.68Å; R98-E140 PolarHBondContact NH2-OE2 2.95Å; R98-E140 VanDerWaalsContact NH2-OE2 3.14Å; Y101-E140 PolarHBondContact OH-O 2.97Å; V136-E140 WeakPolarHBondContact CA-OE1 3.47Å; V136-E140 HydrophobicContact CG1-CG 3.71Å; T137-E140 PolarHBondContact N-OE1 2.8Å; T137-E140 WeakPolarHBondContact O-CG 3.44Å; T137-E140 PolarHBondContact O-N 3.14Å; T137-E140 VanDerWaalsContact OG1-CG 3.27Å; T137-E140 WeakPolarHBondContact OG1-CG 3.3Å; T137-E140 PolarHBondContact OG1-N 3.28Å; T137-E140 PolarHBondContact OG1-OE1 3.31Å; T137-E140 VanDerWaalsContact OG1-OE1 3.04Å; E140-R143 PolarHBondContact O-N 3.14Å; E140-F144 PolarHBondContact O-N 2.98Å
141	A	98.7	Very high	98.5	Very high	0 Å²	0	75.1 Å²	75.1	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-67.9	-37.7	177.3	0	0	0	0	0	111.9	Y93 Y101 L123 V136 T137 F144 A145 F152	Y93-A141 HydrophobicContact CE1-CB 4.1Å; Y93-A141 WeakPolarHBondContact OH-CB 3.36Å; Y101-A141 HydrophobicContact CE2-CB 4.07Å; L123-A141 HydrophobicContact CD2-CB 4.45Å; L123-A141 WeakPolarHBondContact CD2-O 3.47Å; V136-A141 HydrophobicContact CG1-CB 4.33Å; T137-A141 PolarHBondContact O-N 3.33Å; A141-F144 PolarHBondContact O-N 3.33Å; A141-A145 WeakPolarHBondContact O-CB 3.48Å; A141-A145 PolarHBondContact O-N 2.9Å; A141-F152 HydrophobicContact CB-CE1 4.34Å; A141-F152 HydrophobicContact CB-CE2 3.82Å; A141-F152 HydrophobicContact CB-CZ 3.6Å
142	S	98.6	Very high	98.5	Very high	40 Å²	40	72.1 Å²	72.1	28%	0.28	36%	0.361	S	S	.	.	H	α-helix	trans	-62.3	-42.6	172.5	-176.5	0	0	0	0	112	F138 A145 Q146	F138-S142 WeakPolarHBondContact O-CB 3.45Å; F138-S142 PolarHBondContact O-N 3.37Å; S142-A145 PolarHBondContact O-N 3.35Å; S142-Q146 WeakPolarHBondContact O-CB 3.24Å; S142-Q146 PolarHBondContact O-N 2.86Å
143	R	98.7	Very high	98.5	Very high	138 Å²	138	68.8 Å²	68.8	52%	0.521	33%	0.329	S	S	.	.	H	α-helix	trans	-61.9	-47.4	173.7	-75.7	176.3	-173.6	173.6	1.4	111.9	L139 E140 A145 Q146 E147	L139-R143 WeakPolarHBondContact O-CG 3.18Å; L139-R143 PolarHBondContact O-N 2.93Å; E140-R143 PolarHBondContact O-N 3.14Å; R143-A145 VanDerWaalsContact C-N 3.27Å; R143-A145 PolarHBondContact O-N 2.84Å; R143-Q146 PolarHBondContact O-N 3.29Å; R143-Q146 VanDerWaalsContact O-N 3.14Å; R143-E147 WeakPolarHBondContact O-CB 3.29Å; R143-E147 WeakPolarHBondContact O-CG 3.31Å; R143-E147 PolarHBondContact O-N 2.88Å
144	F	98.8	Very high	98.5	Very high	22 Å²	22	64 Å²	64	10%	0.096	30%	0.303	C	S	.	.	H	α-helix	trans	-56.4	-43.6	176.1	173.7	-87.4	0	0	0	111.6	Y101 L104 L108 L123 E140 A141 N148 L150	Y101-F144 HydrophobicContact CE2-CB 4.36Å; Y101-F144 WeakPolarHBondContact OH-CB 3.34Å; L104-F144 HydrophobicContact CB-CE1 4.04Å; L104-F144 HydrophobicContact CB-CE2 4.46Å; L104-F144 HydrophobicContact CB-CZ 3.78Å; L104-F144 HydrophobicContact CD1-CD1 4.36Å; L104-F144 HydrophobicContact CD1-CE1 4.18Å; L108-F144 HydrophobicContact CD2-CE1 4.44Å; L108-F144 HydrophobicContact CD2-CZ 4.1Å; L123-F144 HydrophobicContact CD2-CD1 3.88Å; E140-F144 PolarHBondContact O-N 2.98Å; A141-F144 PolarHBondContact O-N 3.33Å; F144-N148 WeakPolarHBondContact O-CB 3.48Å; F144-N148 PolarHBondContact O-N 3.22Å; F144-N148 VanDerWaalsContact O-N 3.12Å; F144-N148 PolarHBondContact O-ND2 2.53Å; F144-L150 HydrophobicContact CE1-CD1 4.07Å
145	A	98.8	Very high	98.5	Very high	1 Å²	1	61 Å²	61	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-63	-45.6	176.1	0	0	0	0	0	112	L123 A141 S142 R143 N148 E149 L150 F152	L123-A145 HydrophobicContact CB-CB 4.4Å; L123-A145 HydrophobicContact CD2-CB 3.92Å; A141-A145 WeakPolarHBondContact O-CB 3.48Å; A141-A145 PolarHBondContact O-N 2.9Å; S142-A145 PolarHBondContact O-N 3.35Å; R143-A145 VanDerWaalsContact C-N 3.27Å; R143-A145 PolarHBondContact O-N 2.84Å; A145-N148 CarbonylContact O-C 3.57Å; A145-N148 VanDerWaalsContact O-C 3.3Å; A145-N148 PolarHBondContact O-N 3.26Å; A145-E149 PolarHBondContact O-N 3.44Å; A145-L150 HydrophobicContact CB-CB 4.06Å; A145-L150 PolarHBondContact O-N 3Å; A145-F152 HydrophobicContact CB-CB 3.65Å; A145-F152 HydrophobicContact CB-CG 4.23Å
146	Q	98.4	Very high	98.5	Very high	152 Å²	152	56 Å²	56	71%	0.71	27%	0.269	S	S	*	.	H	α-helix	trans	-61.9	-48.6	178.5	-175.1	-179.9	22.4	0	0	112.2	S142 R143 N148 E149	S142-Q146 WeakPolarHBondContact O-CB 3.24Å; S142-Q146 PolarHBondContact O-N 2.86Å; R143-Q146 PolarHBondContact O-N 3.29Å; R143-Q146 VanDerWaalsContact O-N 3.14Å; Q146-N148 PolarHBondContact O-N 2.91Å; Q146-E149 PolarHBondContact O-N 3.37Å
147	E	98.4	Very high	98.5	Very high	149 Å²	149	56.1 Å²	56.1	70%	0.696	27%	0.27	S	S	*	.	H	α-helix	trans	-60.6	-27	177.7	-72.2	172.8	-179	0	0	112.3	R143	R143-E147 WeakPolarHBondContact O-CB 3.29Å; R143-E147 WeakPolarHBondContact O-CG 3.31Å; R143-E147 PolarHBondContact O-N 2.88Å
148	N	98.2	Very high	98.4	Very high	34 Å²	34	56.9 Å²	56.9	18%	0.182	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	14.2	177.5	-72.7	-82.2	0	0	0	113.4	L108 R112 F144 A145 Q146 L150	L108-N148 HydrophobicContact CD2-CB 3.79Å; L108-N148 WeakPolarHBondContact CD2-OD1 3.34Å; R112-N148 PolarHBondContact NH1-OD1 2.8Å; R112-N148 PolarHBondContact NH2-O 2.73Å; F144-N148 WeakPolarHBondContact O-CB 3.48Å; F144-N148 PolarHBondContact O-N 3.22Å; F144-N148 VanDerWaalsContact O-N 3.12Å; F144-N148 PolarHBondContact O-ND2 2.53Å; A145-N148 CarbonylContact O-C 3.57Å; A145-N148 VanDerWaalsContact O-C 3.3Å; A145-N148 PolarHBondContact O-N 3.26Å; Q146-N148 PolarHBondContact O-N 2.91Å; N148-L150 HydrophobicContact CB-CD1 4.03Å; N148-L150 HydrophobicContact CB-CD2 4.35Å; N148-L150 HydrophobicContact CB-CG 3.81Å; N148-L150 VanDerWaalsContact O-CD2 3.25Å; N148-L150 WeakPolarHBondContact O-CD2 3.48Å; N148-L150 WeakPolarHBondContact O-CG 3.42Å; N148-L150 PolarHBondContact O-N 3.12Å; N148-L150 VanDerWaalsContact O-N 3.15Å
149	E	97.4	Very high	98.4	Very high	181 Å²	181	56 Å²	56	85%	0.846	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	36	177.4	-55.3	177.4	-175.6	0	0	114.2	A145 Q146	A145-E149 PolarHBondContact O-N 3.44Å; Q146-E149 PolarHBondContact O-N 3.37Å
150	L	98.5	Very high	98.4	Very high	21 Å²	21	52.6 Å²	52.6	11%	0.11	26%	0.263	C	S	.	.			trans	-98.3	148.6	178.2	-46	-179.4	0	0	0	110	L91 L108 I121 L123 F144 A145 N148	L91-L150 HydrophobicContact CD2-CD1 4.14Å; L108-L150 HydrophobicContact CD1-CD1 4.34Å; L108-L150 HydrophobicContact CD1-CD2 3.94Å; L108-L150 HydrophobicContact CD2-CD1 4.19Å; I121-L150 HydrophobicContact CB-CD2 3.88Å; I121-L150 HydrophobicContact CG2-CD2 3.99Å; L123-L150 HydrophobicContact CB-CD1 4.29Å; F144-L150 HydrophobicContact CE1-CD1 4.07Å; A145-L150 HydrophobicContact CB-CB 4.06Å; A145-L150 PolarHBondContact O-N 3Å; N148-L150 HydrophobicContact CB-CD1 4.03Å; N148-L150 HydrophobicContact CB-CD2 4.35Å; N148-L150 HydrophobicContact CB-CG 3.81Å; N148-L150 VanDerWaalsContact O-CD2 3.25Å; N148-L150 WeakPolarHBondContact O-CD2 3.48Å; N148-L150 WeakPolarHBondContact O-CG 3.42Å; N148-L150 PolarHBondContact O-N 3.12Å; N148-L150 VanDerWaalsContact O-N 3.15Å
151	M	98.4	Very high	98.4	Very high	45 Å²	45	54.1 Å²	54.1	22%	0.222	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	156.7	158.3	-64.8	169.2	-73.6	0	0	109	V120 I121 I122 L123 Q169 C170 K173	V120-M151 HydrophobicContact CG1-CE 3.33Å; I121-M151 PolarHBondContact O-N 2.85Å; I122-M151 HydrophobicContact CB-CB 4.06Å; I122-M151 HydrophobicContact CB-CE 4.12Å; I122-M151 HydrophobicContact CD1-CB 4Å; I122-M151 HydrophobicContact CG1-CB 3.8Å; L123-M151 PolarHBondContact N-O 2.8Å; M151-Q169 HydrophobicContact SD-CB 4.15Å; M151-C170 HydrophobicContact CE-CB 4.23Å; M151-K173 HydrophobicContact CE-CB 4.22Å; M151-K173 HydrophobicContact CE-CG 4.44Å; M151-K173 HydrophobicContact SD-CB 4.21Å
152	F	98.7	Very high	98.4	Very high	29 Å²	29	56.7 Å²	56.7	13%	0.127	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	133.1	179.9	175.8	-125.3	0	0	0	111.7	Y93 L123 F138 A141 A145 E154	Y93-F152 HydrophobicContact CE1-CE2 4.23Å; L123-F152 HydrophobicContact CB-CD2 3.97Å; L123-F152 HydrophobicContact CD2-CD2 3.67Å; L123-F152 HydrophobicContact CD2-CE2 4.02Å; L123-F152 HydrophobicContact CG-CD2 3.78Å; L123-F152 HydrophobicContact CG-CE2 4.2Å; L123-F152 WeakPolarHBondContact O-CA 3.41Å; F138-F152 HydrophobicContact CD1-CE1 4.41Å; F138-F152 AromaticContact CD2-CE1 3.69Å; F138-F152 HydrophobicContact CD2-CE1 3.69Å; F138-F152 HydrophobicContact CD2-CZ 4.13Å; F138-F152 HydrophobicContact CE1-CE1 4.2Å; F138-F152 HydrophobicContact CE2-CD1 4.14Å; F138-F152 AromaticContact CE2-CE1 3.44Å; F138-F152 HydrophobicContact CE2-CE1 3.44Å; F138-F152 VanDerWaalsContact CE2-CE1 3.44Å; F138-F152 HydrophobicContact CE2-CZ 4.18Å; F138-F152 HydrophobicContact CG-CE1 4.17Å; F138-F152 HydrophobicContact CZ-CD1 4.09Å; F138-F152 AromaticContact CZ-CE1 3.72Å; F138-F152 HydrophobicContact CZ-CE1 3.72Å; A141-F152 HydrophobicContact CB-CE1 4.34Å; A141-F152 HydrophobicContact CB-CE2 3.82Å; A141-F152 HydrophobicContact CB-CZ 3.6Å; A145-F152 HydrophobicContact CB-CB 3.65Å; A145-F152 HydrophobicContact CB-CG 4.23Å; F152-E154 HydrophobicContact CE2-CG 4.41Å; F152-E154 HydrophobicContact CZ-CG 3.9Å
153	L	98.5	Very high	98.4	Very high	31 Å²	31	54.9 Å²	54.9	16%	0.162	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	152.9	168.7	-68.2	175	0	0	0	109.7	I122 L123 C124 G125 E165 A166	I122-L153 HydrophobicContact CD1-CB 4.49Å; I122-L153 HydrophobicContact CD1-CD1 3.86Å; I122-L153 HydrophobicContact CD1-CG 4.07Å; L123-L153 PolarHBondContact O-N 2.91Å; C124-L153 VanDerWaalsContact CA-O 3.28Å; C124-L153 WeakPolarHBondContact CA-O 3.47Å; G125-L153 PolarHBondContact N-O 3.03Å; L153-E165 HydrophobicContact CD1-CB 4.29Å; L153-E165 HydrophobicContact CD1-CG 3.93Å; L153-A166 HydrophobicContact CD1-CB 4.35Å
154	E	98.8	Very high	98.4	Very high	8 Å²	8	52.4 Å²	52.4	4%	0.037	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	137.8	161.7	-67.7	-172.2	165.3	0	0	109.6	G125 K128 R134 F138 F152 N162	G125-E154 CarbonylContact O-C 3.48Å; G125-E154 WeakPolarHBondContact O-CA 3.34Å; G125-E154 WeakPolarHBondContact O-CB 3.42Å; K128-E154 HydrophobicContact CB-CB 4.44Å; K128-E154 HydrophobicContact CD-CB 3.82Å; K128-E154 HydrophobicContact CG-CB 4.3Å; R134-E154 IonicContact CZ-OE1 3.97Å; R134-E154 IonicContact CZ-OE2 3.32Å; R134-E154 IonicContact NH1-OE1 3.99Å; R134-E154 PolarHBondContact NH1-OE1 3.46Å; R134-E154 IonicContact NH1-OE2 3.13Å; R134-E154 IonicContact NH2-OE1 2.69Å; R134-E154 PolarHBondContact NH2-OE1 3.02Å; R134-E154 IonicContact NH2-OE2 2.76Å; R134-E154 PolarHBondContact NH2-OE2 3.42Å; F138-E154 HydrophobicContact CD2-CG 4.01Å; F138-E154 HydrophobicContact CE2-CG 4.38Å; F152-E154 HydrophobicContact CE2-CG 4.41Å; F152-E154 HydrophobicContact CZ-CG 3.9Å; E154-N162 VanDerWaalsContact O-CB 3.3Å; E154-N162 WeakPolarHBondContact O-CB 3.42Å; E154-N162 PolarHBondContact O-ND2 3.22Å
155	T	98.8	Very high	98.4	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.006	28%	0.276	C	S	.	.			trans	-123.5	155.1	-175.5	60.2	0	0	0	0	110.9	C124 G125 N126 K127 K128 E161 N162 A166	C124-T155 HydrophobicContact CB-CG2 4.34Å; G125-T155 PolarHBondContact O-N 3.23Å; N126-T155 CarbonylContact C-O 3.45Å; N126-T155 VanDerWaalsContact CA-O 3.29Å; N126-T155 WeakPolarHBondContact CA-O 3.44Å; N126-T155 PolarHBondContact OD1-O 3.43Å; N126-T155 PolarHBondContact OD1-OG1 3.32Å; N126-T155 VanDerWaalsContact OD1-OG1 3.04Å; K127-T155 PolarHBondContact N-O 2.84Å; K127-T155 VanDerWaalsContact N-O 3.1Å; K128-T155 WeakPolarHBondContact CB-O 3.44Å; K128-T155 PolarHBondContact N-O 2.94Å; T155-E161 WeakPolarHBondContact CA-O 3.28Å; T155-N162 HydrophobicContact CG2-CB 4.07Å; T155-A166 HydrophobicContact CG2-CB 4.34Å
156	S	98.6	Very high	98.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.276	C	S	.	.			trans	-125.4	111.4	162.7	171.3	0	0	0	0	108.9	D129 L158 T159 G160 E161 V163	D129-S156 VanDerWaalsContact CG-OG 3.29Å; D129-S156 VanDerWaalsContact OD1-CB 3.29Å; D129-S156 WeakPolarHBondContact OD1-CB 3.04Å; D129-S156 PolarHBondContact OD1-OG 3.49Å; S156-L158 PolarHBondContact O-N 3.23Å; S156-L158 PolarHBondContact OG-N 3.48Å; S156-T159 WeakPolarHBondContact CB-OG1 3.27Å; S156-T159 PolarHBondContact OG-N 3.33Å; S156-T159 PolarHBondContact OG-OG1 3.14Å; S156-G160 CarbonylContact O-C 3.54Å; S156-G160 VanDerWaalsContact O-CA 3.25Å; S156-G160 WeakPolarHBondContact O-CA 3.37Å; S156-G160 PolarHBondContact O-N 3.26Å; S156-E161 PolarHBondContact N-O 3.39Å; S156-E161 PolarHBondContact O-N 2.94Å; S156-V163 WeakPolarHBondContact O-CG2 3.4Å
157	A	98	Very high	98.4	Very high	3 Å²	3	47.4 Å²	47.4	3%	0.025	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-28.3	170.3	0	0	0	0	0	111.8	C28 L29 Q32 F38 N126	C28-A157 HydrophobicContact CB-CB 3.64Å; L29-A157 HydrophobicContact CD2-CB 3.95Å; L29-A157 HydrophobicContact CG-CB 4.16Å; Q32-A157 WeakPolarHBondContact CG-O 3.33Å; Q32-A157 PolarHBondContact NE2-O 3.38Å; F38-A157 HydrophobicContact CD2-CB 4.35Å; F38-A157 WeakPolarHBondContact CD2-O 3.15Å; F38-A157 HydrophobicContact CE2-CB 4.39Å; N126-A157 PolarHBondContact OD1-N 2.86Å
158	L	97.6	Very high	98.4	Very high	86 Å²	86	41 Å²	41	45%	0.45	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-52.2	179	-179.6	62.6	0	0	0	111.6	Q32 F38 D129 S156	Q32-L158 PolarHBondContact NE2-O 2.91Å; F38-L158 HydrophobicContact CB-CD1 4.21Å; F38-L158 HydrophobicContact CD1-CD1 3.68Å; F38-L158 HydrophobicContact CD2-CB 4.29Å; F38-L158 HydrophobicContact CD2-CD1 4.23Å; F38-L158 HydrophobicContact CE1-CD1 4.05Å; F38-L158 HydrophobicContact CE2-CB 4.45Å; F38-L158 HydrophobicContact CG-CD1 3.77Å; F38-L158 HydrophobicContact CZ-CD1 4.47Å; D129-L158 HydrophobicContact CB-CD2 4.25Å; D129-L158 VanDerWaalsContact OD2-CD2 3.29Å; D129-L158 WeakPolarHBondContact OD2-CD2 3.44Å; S156-L158 PolarHBondContact O-N 3.23Å; S156-L158 PolarHBondContact OG-N 3.48Å
159	T	98	Very high	98.4	Very high	91 Å²	91	41.7 Å²	41.7	56%	0.558	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-17.8	-176.5	70.1	0	0	0	0	113.1	D129 S156 E161	D129-T159 HydrophobicContact CB-CG2 4.17Å; S156-T159 WeakPolarHBondContact CB-OG1 3.27Å; S156-T159 PolarHBondContact OG-N 3.33Å; S156-T159 PolarHBondContact OG-OG1 3.14Å; T159-E161 VanDerWaalsContact C-N 3.31Å; T159-E161 WeakPolarHBondContact OG1-CB 2.84Å; T159-E161 PolarHBondContact OG1-N 3.38Å
160	G	98.2	Very high	98.4	Very high	27 Å²	27	33.1 Å²	33.1	28%	0.278	18%	0.176	S	C	.	.			trans	85	0.5	-172.4	0	0	0	0	0	113.9	S156 N162 V163	S156-G160 CarbonylContact O-C 3.54Å; S156-G160 VanDerWaalsContact O-CA 3.25Å; S156-G160 WeakPolarHBondContact O-CA 3.37Å; S156-G160 PolarHBondContact O-N 3.26Å; G160-N162 PolarHBondContact O-N 3.37Å; G160-V163 PolarHBondContact O-N 2.96Å
161	E	98.7	Very high	98.4	Very high	77 Å²	77	32.1 Å²	32.1	36%	0.36	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	127.4	-179.6	-170.9	-176.2	165.4	0	0	111.4	K128 T155 S156 T159 V163	K128-E161 IonicContact NZ-OE1 2.78Å; K128-E161 PolarHBondContact NZ-OE1 2.83Å; K128-E161 IonicContact NZ-OE2 2.76Å; T155-E161 WeakPolarHBondContact CA-O 3.28Å; S156-E161 PolarHBondContact N-O 3.39Å; S156-E161 PolarHBondContact O-N 2.94Å; T159-E161 VanDerWaalsContact C-N 3.31Å; T159-E161 WeakPolarHBondContact OG1-CB 2.84Å; T159-E161 PolarHBondContact OG1-N 3.38Å; E161-V163 PolarHBondContact O-N 3.37Å
162	N	98.7	Very high	98.4	Very high	54 Å²	54	34.6 Å²	34.6	29%	0.289	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	4.7	179.6	-61	-32.2	0	0	0	116.4	E154 T155 G160 E165 A166	E154-N162 VanDerWaalsContact O-CB 3.3Å; E154-N162 WeakPolarHBondContact O-CB 3.42Å; E154-N162 PolarHBondContact O-ND2 3.22Å; T155-N162 HydrophobicContact CG2-CB 4.07Å; G160-N162 PolarHBondContact O-N 3.37Å; N162-E165 PolarHBondContact O-N 3.04Å; N162-A166 WeakPolarHBondContact O-CB 3.36Å; N162-A166 PolarHBondContact O-N 2.81Å
163	V	98.7	Very high	98.4	Very high	3 Å²	3	38 Å²	38	2%	0.018	19%	0.192	C	C	.	.	H	α-helix	trans	-62.4	-52.2	-178.8	178	0	0	0	0	110.5	L29 Q32 F33 S156 G160 E161 A166 F167	L29-V163 HydrophobicContact CD2-CB 4.4Å; L29-V163 HydrophobicContact CD2-CG1 4.12Å; L29-V163 HydrophobicContact CD2-CG2 3.64Å; Q32-V163 HydrophobicContact CB-CG1 4.28Å; Q32-V163 HydrophobicContact CG-CB 4.3Å; Q32-V163 HydrophobicContact CG-CG1 4.13Å; Q32-V163 HydrophobicContact CG-CG2 4.01Å; F33-V163 HydrophobicContact CB-CG1 3.93Å; S156-V163 WeakPolarHBondContact O-CG2 3.4Å; G160-V163 PolarHBondContact O-N 2.96Å; E161-V163 PolarHBondContact O-N 3.37Å; V163-A166 PolarHBondContact O-N 2.64Å; V163-F167 HydrophobicContact CG1-CE2 4.4Å; V163-F167 VanDerWaalsContact O-CD2 3.24Å; V163-F167 WeakPolarHBondContact O-CD2 3.24Å
164	E	98.2	Very high	98.4	Very high	85 Å²	85	36.5 Å²	36.5	40%	0.397	18%	0.184	S	C	.	.	H	α-helix	trans	-65.2	-41	177.3	178.5	160.8	-156.3	0	0	112.2	F33 K36 A166 F167 V168	F33-E164 HydrophobicContact CD2-CB 4.46Å; F33-E164 HydrophobicContact CE2-CG 4.33Å; K36-E164 IonicContact NZ-OE2 2.81Å; K36-E164 PolarHBondContact NZ-OE2 3.01Å; E164-A166 VanDerWaalsContact C-N 3.27Å; E164-A166 PolarHBondContact O-N 3.14Å; E164-F167 PolarHBondContact O-N 2.91Å; E164-V168 HydrophobicContact CG-CG2 4.01Å; E164-V168 WeakPolarHBondContact O-CB 3.46Å; E164-V168 VanDerWaalsContact O-CG2 3.31Å; E164-V168 WeakPolarHBondContact O-CG2 3.48Å; E164-V168 PolarHBondContact O-N 3.25Å
165	E	98.6	Very high	98.3	Very high	69 Å²	69	36.5 Å²	36.5	32%	0.322	19%	0.185	S	C	.	.	H	α-helix	trans	-59.9	-38.4	179.4	-172.3	59.8	-156.2	0	0	111.5	L153 N162 F167 V168 Q169 R172	L153-E165 HydrophobicContact CD1-CB 4.29Å; L153-E165 HydrophobicContact CD1-CG 3.93Å; N162-E165 PolarHBondContact O-N 3.04Å; E165-F167 PolarHBondContact O-N 3.34Å; E165-V168 PolarHBondContact O-N 3.46Å; E165-Q169 HydrophobicContact CG-CG 4.04Å; E165-Q169 WeakPolarHBondContact O-CB 3.34Å; E165-Q169 WeakPolarHBondContact O-CG 3.22Å; E165-Q169 PolarHBondContact O-N 3.13Å; E165-Q169 WeakPolarHBondContact OE1-CG 3.17Å; E165-Q169 PolarHBondContact OE1-NE2 3.18Å; E165-R172 IonicContact OE1-NH1 2.98Å
166	A	98.7	Very high	98.3	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-59.9	-44.8	178	0	0	0	0	0	112.8	L90 I122 L153 T155 N162 V163 E164 C170	L90-A166 HydrophobicContact CD2-CB 4.33Å; I122-A166 HydrophobicContact CD1-CB 4.18Å; L153-A166 HydrophobicContact CD1-CB 4.35Å; T155-A166 HydrophobicContact CG2-CB 4.34Å; N162-A166 WeakPolarHBondContact O-CB 3.36Å; N162-A166 PolarHBondContact O-N 2.81Å; V163-A166 PolarHBondContact O-N 2.64Å; E164-A166 VanDerWaalsContact C-N 3.27Å; E164-A166 PolarHBondContact O-N 3.14Å; A166-C170 WeakPolarHBondContact O-CB 3.4Å; A166-C170 PolarHBondContact O-N 3.45Å
167	F	98.6	Very high	98.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-69.4	-41.6	175.9	-70.8	-82.2	0	0	0	111.9	F16 V18 F33 L64 I66 L90 V163 E164 E165 C170 A171	F16-F167 HydrophobicContact CD1-CD1 4.1Å; F16-F167 HydrophobicContact CD1-CE1 4.5Å; F16-F167 HydrophobicContact CE1-CD1 4.4Å; V18-F167 HydrophobicContact CG2-CZ 4.41Å; F33-F167 HydrophobicContact CB-CD2 3.96Å; F33-F167 HydrophobicContact CB-CE2 3.61Å; F33-F167 HydrophobicContact CB-CZ 4.33Å; F33-F167 HydrophobicContact CD1-CD1 4.41Å; F33-F167 AromaticContact CD1-CD2 3.94Å; F33-F167 HydrophobicContact CD1-CD2 3.94Å; F33-F167 HydrophobicContact CD1-CE1 4.46Å; F33-F167 HydrophobicContact CD1-CE2 4.02Å; F33-F167 HydrophobicContact CD1-CG 4.16Å; F33-F167 HydrophobicContact CD1-CZ 4.27Å; F33-F167 HydrophobicContact CD2-CB 4.26Å; F33-F167 AromaticContact CD2-CD2 3.45Å; F33-F167 HydrophobicContact CD2-CD2 3.45Å; F33-F167 VanDerWaalsContact CD2-CD2 3.45Å; F33-F167 HydrophobicContact CD2-CE2 4.03Å; F33-F167 HydrophobicContact CD2-CG 4.02Å; F33-F167 HydrophobicContact CE1-CB 4.4Å; F33-F167 HydrophobicContact CE1-CD1 4.31Å; F33-F167 HydrophobicContact CE1-CD2 4.29Å; F33-F167 HydrophobicContact CE1-CG 4.08Å; F33-F167 HydrophobicContact CE2-CB 3.75Å; F33-F167 AromaticContact CE2-CD2 3.84Å; F33-F167 HydrophobicContact CE2-CD2 3.84Å; F33-F167 AromaticContact CE2-CG 3.94Å; F33-F167 HydrophobicContact CE2-CG 3.94Å; F33-F167 AromaticContact CG-CD2 3.49Å; F33-F167 HydrophobicContact CG-CD2 3.49Å; F33-F167 VanDerWaalsContact CG-CD2 3.49Å; F33-F167 AromaticContact CG-CE2 3.61Å; F33-F167 HydrophobicContact CG-CE2 3.61Å; F33-F167 HydrophobicContact CG-CG 4.12Å; F33-F167 HydrophobicContact CG-CZ 4.3Å; F33-F167 HydrophobicContact CZ-CB 3.81Å; F33-F167 HydrophobicContact CZ-CD2 4.23Å; F33-F167 AromaticContact CZ-CG 3.96Å; F33-F167 HydrophobicContact CZ-CG 3.96Å; L64-F167 HydrophobicContact CD1-CB 4Å; L64-F167 HydrophobicContact CD1-CD1 4.12Å; L64-F167 HydrophobicContact CD1-CG 4.44Å; I66-F167 HydrophobicContact CD1-CD1 3.93Å; I66-F167 HydrophobicContact CD1-CE1 3.58Å; I66-F167 HydrophobicContact CD1-CZ 4.22Å; I66-F167 HydrophobicContact CG1-CE1 4.12Å; I66-F167 HydrophobicContact CG2-CE1 4.11Å; L90-F167 HydrophobicContact CD1-CD1 3.7Å; L90-F167 HydrophobicContact CD1-CE1 3.55Å; L90-F167 HydrophobicContact CD1-CG 4.38Å; L90-F167 HydrophobicContact CD1-CZ 4.11Å; L90-F167 HydrophobicContact CD2-CD1 4.34Å; L90-F167 HydrophobicContact CD2-CD2 4.22Å; L90-F167 HydrophobicContact CD2-CE1 3.83Å; L90-F167 HydrophobicContact CD2-CE2 3.68Å; L90-F167 HydrophobicContact CD2-CZ 3.46Å; L90-F167 VanDerWaalsContact CD2-CZ 3.46Å; L90-F167 HydrophobicContact CG-CE1 4.35Å; L90-F167 HydrophobicContact CG-CZ 4.44Å; V163-F167 HydrophobicContact CG1-CE2 4.4Å; V163-F167 VanDerWaalsContact O-CD2 3.24Å; V163-F167 WeakPolarHBondContact O-CD2 3.24Å; E164-F167 PolarHBondContact O-N 2.91Å; E165-F167 PolarHBondContact O-N 3.34Å; F167-C170 PolarHBondContact O-N 3.43Å; F167-A171 WeakPolarHBondContact O-CB 3.5Å; F167-A171 PolarHBondContact O-N 2.83Å
168	V	98.5	Very high	98	Very high	14 Å²	14	42.8 Å²	42.8	9%	0.085	22%	0.216	C	C	.	.	H	α-helix	trans	-66.3	-43.2	-178.7	169.6	0	0	0	0	111.7	I55 E164 E165 C170 A171 R172	I55-V168 HydrophobicContact CD1-CG2 4.08Å; E164-V168 HydrophobicContact CG-CG2 4.01Å; E164-V168 WeakPolarHBondContact O-CB 3.46Å; E164-V168 VanDerWaalsContact O-CG2 3.31Å; E164-V168 WeakPolarHBondContact O-CG2 3.48Å; E164-V168 PolarHBondContact O-N 3.25Å; E165-V168 PolarHBondContact O-N 3.46Å; V168-C170 PolarHBondContact O-N 3.47Å; V168-A171 PolarHBondContact O-N 2.9Å; V168-R172 VanDerWaalsContact CG1-NH2 3.3Å; V168-R172 VanDerWaalsContact O-CB 3.26Å; V168-R172 WeakPolarHBondContact O-CB 3.29Å; V168-R172 PolarHBondContact O-N 2.8Å
169	Q	98.5	Very high	97.9	Very high	50 Å²	50	45.4 Å²	45.4	23%	0.234	23%	0.226	C	C	.	.	H	α-helix	trans	-62.6	-43.4	176.9	-73.1	-171.1	7.1	0	0	111.8	I122 M151 E165 R172 K173	I122-Q169 HydrophobicContact CD1-CB 4.46Å; M151-Q169 HydrophobicContact SD-CB 4.15Å; E165-Q169 HydrophobicContact CG-CG 4.04Å; E165-Q169 WeakPolarHBondContact O-CB 3.34Å; E165-Q169 WeakPolarHBondContact O-CG 3.22Å; E165-Q169 PolarHBondContact O-N 3.13Å; E165-Q169 WeakPolarHBondContact OE1-CG 3.17Å; E165-Q169 PolarHBondContact OE1-NE2 3.18Å; Q169-R172 PolarHBondContact O-N 3.32Å; Q169-K173 WeakPolarHBondContact O-CB 3.1Å; Q169-K173 PolarHBondContact O-N 3.43Å
170	C	98.2	Very high	97.8	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-47	177.2	-169.4	0	0	0	0	111.5	F16 V120 I122 M151 A166 F167 V168 R172 K173 I174	F16-C170 HydrophobicContact CE1-CB 3.7Å; F16-C170 WeakPolarHBondContact CE1-SG 3.28Å; F16-C170 HydrophobicContact CZ-CB 3.95Å; F16-C170 VanDerWaalsContact CZ-SG 3.58Å; V120-C170 PolarHBondContact O-SG 2.98Å; I122-C170 HydrophobicContact CG2-CB 4.19Å; M151-C170 HydrophobicContact CE-CB 4.23Å; A166-C170 WeakPolarHBondContact O-CB 3.4Å; A166-C170 PolarHBondContact O-N 3.45Å; F167-C170 PolarHBondContact O-N 3.43Å; V168-C170 PolarHBondContact O-N 3.47Å; C170-R172 PolarHBondContact O-N 3.02Å; C170-K173 PolarHBondContact O-N 3.27Å; C170-I174 WeakPolarHBondContact O-CG1 3.33Å; C170-I174 PolarHBondContact O-N 3.05Å
171	A	98.5	Very high	97.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.6	-41	175.4	0	0	0	0	0	112.6	F14 F16 I55 V57 L64 F167 V168 I174 L175	F14-A171 HydrophobicContact CD2-CB 4.34Å; F14-A171 HydrophobicContact CE2-CB 4.35Å; F16-A171 HydrophobicContact CZ-CB 4.43Å; I55-A171 HydrophobicContact CD1-CB 3.98Å; V57-A171 HydrophobicContact CG2-CB 4.07Å; L64-A171 HydrophobicContact CD2-CB 4.31Å; F167-A171 WeakPolarHBondContact O-CB 3.5Å; F167-A171 PolarHBondContact O-N 2.83Å; V168-A171 PolarHBondContact O-N 2.9Å; A171-I174 PolarHBondContact O-N 3.47Å; A171-L175 PolarHBondContact O-N 3.29Å
172	R	98.5	Very high	97.2	Very high	98 Å²	98	47.7 Å²	47.7	37%	0.37	25%	0.249	S	C	.	.	H	α-helix	trans	-61.9	-44.6	176.5	-172.5	-178.7	-65.3	120	-2.3	111.6	V57 E165 V168 Q169 C170 I174 L175 N176	V57-R172 HydrophobicContact CG1-CB 3.59Å; V57-R172 HydrophobicContact CG1-CG 4.05Å; E165-R172 IonicContact OE1-NH1 2.98Å; V168-R172 VanDerWaalsContact CG1-NH2 3.3Å; V168-R172 VanDerWaalsContact O-CB 3.26Å; V168-R172 WeakPolarHBondContact O-CB 3.29Å; V168-R172 PolarHBondContact O-N 2.8Å; Q169-R172 PolarHBondContact O-N 3.32Å; C170-R172 PolarHBondContact O-N 3.02Å; R172-I174 VanDerWaalsContact C-N 3.31Å; R172-I174 PolarHBondContact O-N 3.22Å; R172-L175 PolarHBondContact O-N 2.86Å; R172-N176 PolarHBondContact O-N 2.63Å; R172-N176 PolarHBondContact O-OD1 2.72Å
173	K	98.3	Very high	96.9	Very high	100 Å²	100	45.4 Å²	45.4	44%	0.435	24%	0.236	S	C	.	.	H	α-helix	trans	-63.6	-37.8	177.7	-177.6	66.2	172.6	-175.6	0	111.5	V120 M151 Q169 C170 N176 K177	V120-K173 HydrophobicContact CG1-CB 3.84Å; V120-K173 HydrophobicContact CG1-CG 3.73Å; V120-K173 HydrophobicContact CG2-CG 4.08Å; M151-K173 HydrophobicContact CE-CB 4.22Å; M151-K173 HydrophobicContact CE-CG 4.44Å; M151-K173 HydrophobicContact SD-CB 4.21Å; Q169-K173 WeakPolarHBondContact O-CB 3.1Å; Q169-K173 PolarHBondContact O-N 3.43Å; C170-K173 PolarHBondContact O-N 3.27Å; K173-N176 PolarHBondContact O-N 2.87Å; K173-K177 WeakPolarHBondContact O-CG 3.38Å; K173-K177 PolarHBondContact O-N 2.66Å; K173-K177 VanDerWaalsContact O-N 3.13Å
174	I	98.1	Very high	96.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-48.2	173.3	-66.1	166.4	0	0	0	111	F14 F16 A87 V120 C170 A171 R172 N176 K177 I178 I192	F14-I174 HydrophobicContact CD1-CG2 4.4Å; F14-I174 HydrophobicContact CD2-CB 4.3Å; F14-I174 HydrophobicContact CD2-CD1 4.03Å; F14-I174 HydrophobicContact CD2-CG2 4.04Å; F14-I174 HydrophobicContact CE1-CG2 3.94Å; F14-I174 HydrophobicContact CE2-CB 3.81Å; F14-I174 HydrophobicContact CE2-CD1 4.41Å; F14-I174 HydrophobicContact CE2-CG2 3.55Å; F14-I174 HydrophobicContact CG-CG2 4.46Å; F14-I174 HydrophobicContact CZ-CB 4.2Å; F14-I174 HydrophobicContact CZ-CG2 3.5Å; F14-I174 VanDerWaalsContact CZ-CG2 3.5Å; F16-I174 HydrophobicContact CE2-CD1 3.58Å; F16-I174 HydrophobicContact CZ-CD1 3.72Å; A87-I174 HydrophobicContact CB-CD1 4.12Å; A87-I174 WeakPolarHBondContact O-CD1 3.49Å; V120-I174 HydrophobicContact CB-CD1 4.31Å; V120-I174 HydrophobicContact CB-CG1 3.72Å; V120-I174 HydrophobicContact CG1-CG1 4.38Å; V120-I174 HydrophobicContact CG2-CG1 3.53Å; C170-I174 WeakPolarHBondContact O-CG1 3.33Å; C170-I174 PolarHBondContact O-N 3.05Å; A171-I174 PolarHBondContact O-N 3.47Å; R172-I174 VanDerWaalsContact C-N 3.31Å; R172-I174 PolarHBondContact O-N 3.22Å; I174-N176 VanDerWaalsContact C-N 3.32Å; I174-N176 PolarHBondContact O-N 2.95Å; I174-K177 WeakPolarHBondContact O-CB 3.37Å; I174-K177 PolarHBondContact O-N 3.44Å; I174-K177 VanDerWaalsContact O-N 3.11Å; I174-I178 HydrophobicContact CG2-CD1 4.2Å; I174-I178 WeakPolarHBondContact O-CG1 3.28Å; I174-I178 PolarHBondContact O-N 2.99Å; I174-I192 HydrophobicContact CG2-CD1 3.49Å; I174-I192 VanDerWaalsContact CG2-CD1 3.49Å; I174-I192 HydrophobicContact CG2-CG1 4.32Å
175	L	97.6	Very high	96.2	Very high	8 Å²	8	45.5 Å²	45.5	4%	0.042	24%	0.24	C	C	.	.	H	α-helix	trans	-57.8	-44.3	177	-74	170.9	0	0	0	111.8	F12 F14 V57 K60 V62 A171 R172 K177 I178 E179	F12-L175 HydrophobicContact CD2-CD2 3.58Å; F12-L175 HydrophobicContact CE2-CD2 3.66Å; F12-L175 HydrophobicContact CG-CD2 4.29Å; F12-L175 HydrophobicContact CZ-CD2 4.41Å; F14-L175 HydrophobicContact CE2-CD2 4.37Å; F14-L175 HydrophobicContact CE2-CG 4.13Å; F14-L175 HydrophobicContact CZ-CD2 3.73Å; F14-L175 HydrophobicContact CZ-CG 3.95Å; V57-L175 HydrophobicContact CB-CD1 3.75Å; V57-L175 HydrophobicContact CG1-CD1 3.76Å; K60-L175 HydrophobicContact CB-CD1 4.27Å; V62-L175 HydrophobicContact CG2-CD1 3.95Å; V62-L175 HydrophobicContact CG2-CD2 4.34Å; V62-L175 HydrophobicContact CG2-CG 4.44Å; A171-L175 PolarHBondContact O-N 3.29Å; R172-L175 PolarHBondContact O-N 2.86Å; L175-K177 VanDerWaalsContact C-N 3.27Å; L175-K177 PolarHBondContact O-N 3.1Å; L175-I178 HydrophobicContact CD2-CD1 4.48Å; L175-I178 WeakPolarHBondContact O-CA 3.49Å; L175-I178 WeakPolarHBondContact O-CB 3.17Å; L175-I178 PolarHBondContact O-N 3.04Å; L175-E179 WeakPolarHBondContact O-CG 3.35Å; L175-E179 PolarHBondContact O-N 3.06Å
176	N	97.4	Very high	95.7	Very high	81 Å²	81	49.1 Å²	49.1	43%	0.433	26%	0.257	S	S	.	.	H	α-helix	trans	-60.9	-36.3	177.4	-66.5	-2.8	0	0	0	112.3	R172 K173 I174 I178 E179 S180	R172-N176 PolarHBondContact O-N 2.63Å; R172-N176 PolarHBondContact O-OD1 2.72Å; K173-N176 PolarHBondContact O-N 2.87Å; I174-N176 VanDerWaalsContact C-N 3.32Å; I174-N176 PolarHBondContact O-N 2.95Å; N176-I178 VanDerWaalsContact C-N 3.33Å; N176-E179 PolarHBondContact O-N 3.2Å; N176-S180 WeakPolarHBondContact O-CB 3.34Å; N176-S180 PolarHBondContact O-N 2.91Å; N176-S180 PolarHBondContact O-OG 3.31Å
177	K	96.4	Very high	95.2	Very high	28 Å²	28	55.2 Å²	55.2	12%	0.122	28%	0.28	C	S	.	.	H	α-helix	trans	-68	-32.8	174.4	-70.7	-170.9	172.9	-150.3	0	112.5	N118 V120 K173 I174 L175 S180 G181 E182 L183	N118-K177 PolarHBondContact O-NZ 2.98Å; V120-K177 HydrophobicContact CG2-CD 4Å; K173-K177 WeakPolarHBondContact O-CG 3.38Å; K173-K177 PolarHBondContact O-N 2.66Å; K173-K177 VanDerWaalsContact O-N 3.13Å; I174-K177 WeakPolarHBondContact O-CB 3.37Å; I174-K177 PolarHBondContact O-N 3.44Å; I174-K177 VanDerWaalsContact O-N 3.11Å; L175-K177 VanDerWaalsContact C-N 3.27Å; L175-K177 PolarHBondContact O-N 3.1Å; K177-S180 PolarHBondContact O-OG 2.84Å; K177-G181 PolarHBondContact O-N 2.82Å; K177-E182 HydrophobicContact CB-CB 4.28Å; K177-E182 WeakPolarHBondContact CD-OE1 3.3Å; K177-E182 WeakPolarHBondContact CE-OE1 3.48Å; K177-E182 IonicContact NZ-OE1 3.32Å; K177-E182 PolarHBondContact NZ-OE1 3Å; K177-E182 PolarHBondContact O-N 3.15Å; K177-L183 HydrophobicContact CB-CB 3.78Å; K177-L183 PolarHBondContact O-N 2.82Å
178	I	95.1	Very high	94.6	Very high	26 Å²	26	64.2 Å²	64.2	13%	0.133	32%	0.324	C	S	.	.	H	α-helix	trans	-67.8	-48.6	173.6	-64.1	165.9	0	0	0	109.8	F12 F14 I174 L175 N176 S180 G181 L183 P185 I192	F12-I178 HydrophobicContact CD1-CD1 4.3Å; F12-I178 HydrophobicContact CE1-CD1 4.12Å; F12-I178 HydrophobicContact CE1-CG2 4.5Å; F14-I178 HydrophobicContact CE1-CD1 4.01Å; F14-I178 HydrophobicContact CZ-CD1 3.99Å; I174-I178 HydrophobicContact CG2-CD1 4.2Å; I174-I178 WeakPolarHBondContact O-CG1 3.28Å; I174-I178 PolarHBondContact O-N 2.99Å; L175-I178 HydrophobicContact CD2-CD1 4.48Å; L175-I178 WeakPolarHBondContact O-CA 3.49Å; L175-I178 WeakPolarHBondContact O-CB 3.17Å; L175-I178 PolarHBondContact O-N 3.04Å; N176-I178 VanDerWaalsContact C-N 3.33Å; I178-S180 VanDerWaalsContact C-N 3.31Å; I178-S180 PolarHBondContact O-N 3.2Å; I178-G181 PolarHBondContact O-N 3.31Å; I178-G181 VanDerWaalsContact O-N 3.08Å; I178-L183 WeakPolarHBondContact CA-O 3.38Å; I178-L183 HydrophobicContact CD1-CD2 4.38Å; I178-L183 HydrophobicContact CG1-CB 4.39Å; I178-L183 HydrophobicContact CG1-CD2 3.67Å; I178-P185 HydrophobicContact CD1-CG 4.07Å; I178-P185 HydrophobicContact CG1-CG 4.07Å; I178-P185 HydrophobicContact CG2-CG 3.83Å; I178-I192 HydrophobicContact CD1-CD1 4.28Å; I178-I192 HydrophobicContact CD1-CG2 4.16Å
179	E	94.1	Very high	94	Very high	141 Å²	141	65.7 Å²	65.7	66%	0.659	34%	0.342	S	S	*	.	H	α-helix	trans	-64.8	-33.4	-178.4	-70.1	177.5	176	0	0	112.9	L175 N176 G181	L175-E179 WeakPolarHBondContact O-CG 3.35Å; L175-E179 PolarHBondContact O-N 3.06Å; N176-E179 PolarHBondContact O-N 3.2Å; E179-G181 VanDerWaalsContact C-N 3.28Å; E179-G181 PolarHBondContact O-N 2.78Å
180	S	95.7	Very high	93.5	Very high	82 Å²	82	64 Å²	64	57%	0.573	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-10.6	175	69.8	0	0	0	0	114.1	N176 K177 I178 E182	N176-S180 WeakPolarHBondContact O-CB 3.34Å; N176-S180 PolarHBondContact O-N 2.91Å; N176-S180 PolarHBondContact O-OG 3.31Å; K177-S180 PolarHBondContact O-OG 2.84Å; I178-S180 VanDerWaalsContact C-N 3.31Å; I178-S180 PolarHBondContact O-N 3.2Å; S180-E182 VanDerWaalsContact C-N 3.27Å; S180-E182 PolarHBondContact O-N 3.01Å; S180-E182 WeakPolarHBondContact OG-CB 3.14Å; S180-E182 PolarHBondContact OG-N 3.18Å
181	G	93	Very high	93	Very high	62 Å²	62	64.8 Å²	64.8	64%	0.639	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	5	-173.3	0	0	0	0	0	114.8	K177 I178 E179 L183	K177-G181 PolarHBondContact O-N 2.82Å; I178-G181 PolarHBondContact O-N 3.31Å; I178-G181 VanDerWaalsContact O-N 3.08Å; E179-G181 VanDerWaalsContact C-N 3.28Å; E179-G181 PolarHBondContact O-N 2.78Å; G181-L183 PolarHBondContact O-N 3.04Å
182	E	92.4	Very high	92.7	Very high	99 Å²	99	65.1 Å²	65.1	46%	0.463	35%	0.346	S	S	.	.	S	Bend	trans	-65.5	-32.2	173.3	-172.7	-166.6	141.6	0	0	111.5	N118 K177 S180	N118-E182 PolarHBondContact ND2-O 3.05Å; K177-E182 HydrophobicContact CB-CB 4.28Å; K177-E182 WeakPolarHBondContact CD-OE1 3.3Å; K177-E182 WeakPolarHBondContact CE-OE1 3.48Å; K177-E182 IonicContact NZ-OE1 3.32Å; K177-E182 PolarHBondContact NZ-OE1 3Å; K177-E182 PolarHBondContact O-N 3.15Å; S180-E182 VanDerWaalsContact C-N 3.27Å; S180-E182 PolarHBondContact O-N 3.01Å; S180-E182 WeakPolarHBondContact OG-CB 3.14Å; S180-E182 PolarHBondContact OG-N 3.18Å
183	L	92.2	Very high	92.4	Very high	6 Å²	6	66 Å²	66	3%	0.031	35%	0.354	C	S	.	.	S	Bend	trans	-122.3	123.5	179.2	-169.3	156.9	0	0	0	110.2	N118 K177 I178 G181 I192	N118-L183 HydrophobicContact CB-CD1 4.1Å; K177-L183 HydrophobicContact CB-CB 3.78Å; K177-L183 PolarHBondContact O-N 2.82Å; I178-L183 WeakPolarHBondContact CA-O 3.38Å; I178-L183 HydrophobicContact CD1-CD2 4.38Å; I178-L183 HydrophobicContact CG1-CB 4.39Å; I178-L183 HydrophobicContact CG1-CD2 3.67Å; G181-L183 PolarHBondContact O-N 3.04Å; L183-I192 HydrophobicContact CD1-CD1 3.58Å; L183-I192 HydrophobicContact CD2-CD1 3.22Å; L183-I192 HydrophobicContact CD2-CG1 4.48Å; L183-I192 HydrophobicContact CG-CD1 4.05Å
184	D	90.9	Very high	92	Very high	81 Å²	81	64.6 Å²	64.6	43%	0.433	35%	0.347	S	S	.	.			trans	-97.6	117.3	170.8	177	10.2	0	0	0	110.7	E186 R187	D184-E186 PolarHBondContact O-N 2.81Å; D184-E186 PolarHBondContact OD1-N 3.01Å; D184-R187 HydrophobicContact CB-CB 4.16Å; D184-R187 WeakPolarHBondContact O-CB 3.4Å; D184-R187 PolarHBondContact O-N 2.7Å
185	P	90.6	Very high	91.4	Very high	10 Å²	10	64.7 Å²	64.7	7%	0.065	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-35.7	172	-31.1	40	0	0	0	114.5	F12 I178 R187 S190 I192 Y194	F12-P185 HydrophobicContact CE1-CG 4.34Å; I178-P185 HydrophobicContact CD1-CG 4.07Å; I178-P185 HydrophobicContact CG1-CG 4.07Å; I178-P185 HydrophobicContact CG2-CG 3.83Å; P185-R187 VanDerWaalsContact C-N 3.3Å; P185-R187 PolarHBondContact O-N 2.9Å; P185-S190 PolarHBondContact O-OG 3.32Å; P185-I192 HydrophobicContact CB-CG2 3.85Å; P185-I192 HydrophobicContact CG-CG2 4.12Å; P185-Y194 HydrophobicContact CB-CD2 4.38Å; P185-Y194 HydrophobicContact CB-CE1 4.46Å; P185-Y194 HydrophobicContact CB-CE2 3.82Å; P185-Y194 HydrophobicContact CG-CE1 4.35Å; P185-Y194 HydrophobicContact CG-CE2 4.38Å
186	E	87.8	Confident	90.5	Very high	144 Å²	144	68 Å²	68	67%	0.673	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-15.1	-175.3	-58	-167.9	154	0	0	112.9	D184 M188 Y194	D184-E186 PolarHBondContact O-N 2.81Å; D184-E186 PolarHBondContact OD1-N 3.01Å; E186-M188 PolarHBondContact O-N 2.9Å; E186-Y194 HydrophobicContact CG-CE2 3.88Å
187	R	89.3	Confident	89.3	Confident	130 Å²	130	65.1 Å²	65.1	49%	0.491	35%	0.352	S	S	.	.	S	Bend	trans	-62.7	126	177.3	-174.8	175	176.2	-170.7	-5.6	110.5	D184 P185 G189 S190	D184-R187 HydrophobicContact CB-CB 4.16Å; D184-R187 WeakPolarHBondContact O-CB 3.4Å; D184-R187 PolarHBondContact O-N 2.7Å; P185-R187 VanDerWaalsContact C-N 3.3Å; P185-R187 PolarHBondContact O-N 2.9Å; R187-G189 PolarHBondContact O-N 2.68Å; R187-S190 VanDerWaalsContact O-CB 3.23Å; R187-S190 WeakPolarHBondContact O-CB 3.4Å; R187-S190 PolarHBondContact O-N 2.81Å; R187-S190 PolarHBondContact O-OG 2.76Å
188	M	85.6	Confident	88.1	Confident	189 Å²	189	64.2 Å²	64.2	93%	0.931	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	128.1	175.8	-72	-167.4	-179.2	0	0	111.4	E186	E186-M188 PolarHBondContact O-N 2.9Å
189	G	86	Confident	86.8	Confident	45 Å²	45	66.1 Å²	66.1	46%	0.464	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	8.9	-179.4	0	0	0	0	0	115.2	G85 S116 R187 G191	G85-G189 WeakPolarHBondContact CA-O 3.27Å; S116-G189 WeakPolarHBondContact CB-O 3.25Å; R187-G189 PolarHBondContact O-N 2.68Å; G189-G191 PolarHBondContact O-N 3.29Å
190	S	88.1	Confident	85.7	Confident	15 Å²	15	67.1 Å²	67.1	11%	0.105	36%	0.358	C	S	.	.			trans	-59.1	-30.7	172.6	64.1	0	0	0	0	113	P185 R187 I192	P185-S190 PolarHBondContact O-OG 3.32Å; R187-S190 VanDerWaalsContact O-CB 3.23Å; R187-S190 WeakPolarHBondContact O-CB 3.4Å; R187-S190 PolarHBondContact O-N 2.81Å; R187-S190 PolarHBondContact O-OG 2.76Å; S190-I192 VanDerWaalsContact C-N 3.26Å; S190-I192 PolarHBondContact OG-N 3.04Å; S190-I192 VanDerWaalsContact OG-N 3.16Å; S190-I192 PolarHBondContact OG-O 2.72Å
191	G	88	Confident	84.4	Confident	16 Å²	16	69.1 Å²	69.1	17%	0.165	36%	0.359	C	S	.	.	S	Bend	trans	78	12.9	-172	0	0	0	0	0	114.5	K15 G85 G189	K15-G191 PolarHBondContact N-O 3.46Å; G85-G191 WeakPolarHBondContact O-CA 3.38Å; G189-G191 PolarHBondContact O-N 3.29Å
192	I	92.6	Very high	83	Confident	6 Å²	6	71.5 Å²	71.5	3%	0.031	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	140.9	-173.7	-65.1	159.8	0	0	0	108.4	F12 L13 F14 A87 I174 I178 L183 P185 S190	F12-I192 HydrophobicContact CD1-CG2 4.23Å; L13-I192 WeakPolarHBondContact O-CA 3.29Å; F14-I192 HydrophobicContact CD1-CB 4.17Å; F14-I192 HydrophobicContact CD1-CD1 4.41Å; F14-I192 HydrophobicContact CD1-CG1 3.62Å; F14-I192 HydrophobicContact CD1-CG2 3.79Å; F14-I192 HydrophobicContact CE1-CB 4.33Å; F14-I192 HydrophobicContact CE1-CD1 4.3Å; F14-I192 HydrophobicContact CE1-CG1 3.9Å; F14-I192 HydrophobicContact CE1-CG2 3.57Å; F14-I192 HydrophobicContact CG-CG1 4.44Å; A87-I192 HydrophobicContact CB-CD1 3.89Å; A87-I192 HydrophobicContact CB-CG1 3.62Å; I174-I192 HydrophobicContact CG2-CD1 3.49Å; I174-I192 VanDerWaalsContact CG2-CD1 3.49Å; I174-I192 HydrophobicContact CG2-CG1 4.32Å; I178-I192 HydrophobicContact CD1-CD1 4.28Å; I178-I192 HydrophobicContact CD1-CG2 4.16Å; L183-I192 HydrophobicContact CD1-CD1 3.58Å; L183-I192 HydrophobicContact CD2-CD1 3.22Å; L183-I192 HydrophobicContact CD2-CG1 4.48Å; L183-I192 HydrophobicContact CG-CD1 4.05Å; P185-I192 HydrophobicContact CB-CG2 3.85Å; P185-I192 HydrophobicContact CG-CG2 4.12Å; S190-I192 VanDerWaalsContact C-N 3.26Å; S190-I192 PolarHBondContact OG-N 3.04Å; S190-I192 VanDerWaalsContact OG-N 3.16Å; S190-I192 PolarHBondContact OG-O 2.72Å
193	Q	91.4	Very high	81.5	Confident	118 Å²	118	76.5 Å²	76.5	55%	0.551	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.7	146.6	173.4	-54.8	175.5	-8.5	0	0	109.4	F12 L13	F12-Q193 CarbonylContact C-O 3.36Å; F12-Q193 WeakPolarHBondContact CA-O 3.21Å; L13-Q193 HydrophobicContact CB-CB 4.18Å; L13-Q193 HydrophobicContact CD2-CB 4.44Å; L13-Q193 HydrophobicContact CD2-CG 4.26Å; L13-Q193 PolarHBondContact N-O 3.38Å; L13-Q193 PolarHBondContact O-N 3.14Å
194	Y	90.1	Very high	79.6	Confident	70 Å²	70	79.6 Å²	79.6	28%	0.275	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	133	165.4	-69.2	-69	0	0	0	109.6	F12 P185 E186 A198 L202	F12-Y194 HydrophobicContact CD1-CD1 4.12Å; F12-Y194 HydrophobicContact CD1-CE1 4.36Å; F12-Y194 AromaticContact CE1-CD1 3.67Å; F12-Y194 HydrophobicContact CE1-CD1 3.67Å; F12-Y194 AromaticContact CE1-CE1 3.51Å; F12-Y194 HydrophobicContact CE1-CE1 3.51Å; F12-Y194 HydrophobicContact CZ-CD1 4.41Å; F12-Y194 HydrophobicContact CZ-CE1 4.13Å; P185-Y194 HydrophobicContact CB-CD2 4.38Å; P185-Y194 HydrophobicContact CB-CE1 4.46Å; P185-Y194 HydrophobicContact CB-CE2 3.82Å; P185-Y194 HydrophobicContact CG-CE1 4.35Å; P185-Y194 HydrophobicContact CG-CE2 4.38Å; E186-Y194 HydrophobicContact CG-CE2 3.88Å; Y194-A198 HydrophobicContact CD1-CB 3.77Å; Y194-A198 HydrophobicContact CG-CB 4.36Å; Y194-L202 HydrophobicContact CD2-CD1 4.42Å; Y194-L202 HydrophobicContact CG-CD1 4.43Å
195	G	84.4	Confident	77.5	Confident	1 Å²	1	81.3 Å²	81.3	1%	0.01	41%	0.408	C	S	.	.			trans	-81.7	171.7	170.5	0	0	0	0	0	112.5	Y10 D11 A197 A198 L199	Y10-G195 CarbonylContact O-C 3.56Å; Y10-G195 VanDerWaalsContact O-CA 3.27Å; Y10-G195 WeakPolarHBondContact O-CA 3.39Å; D11-G195 PolarHBondContact O-N 2.86Å; G195-A197 PolarHBondContact O-N 3.2Å; G195-A197 VanDerWaalsContact O-N 3.15Å; G195-A198 PolarHBondContact O-N 3.39Å; G195-A198 VanDerWaalsContact O-N 3.09Å; G195-L199 PolarHBondContact O-N 3.3Å
196	D	80.3	Confident	75.6	Confident	78 Å²	78	92.4 Å²	92.4	42%	0.417	45%	0.449	S	S	.	.	H	α-helix	trans	-56.3	-33.4	-177.4	-67.1	-34.4	0	0	0	113.1	R200	D196-R200 WeakPolarHBondContact O-CB 3.26Å; D196-R200 VanDerWaalsContact O-CG 3.25Å; D196-R200 WeakPolarHBondContact O-CG 3.46Å; D196-R200 PolarHBondContact O-N 3.21Å
197	A	71.7	Confident	73.4	Confident	20 Å²	20	96.7 Å²	96.7	17%	0.165	46%	0.459	C	S	.	.	H	α-helix	trans	-65.8	-44.4	178.6	0	0	0	0	0	111.6	Y10 G195 R200 Q201	Y10-A197 WeakPolarHBondContact O-CB 3.4Å; Y10-A197 PolarHBondContact O-N 3.37Å; G195-A197 PolarHBondContact O-N 3.2Å; G195-A197 VanDerWaalsContact O-N 3.15Å; A197-R200 PolarHBondContact O-N 3.33Å; A197-Q201 PolarHBondContact O-N 2.79Å
198	A	70	Confident	71.2	Confident	10 Å²	10	94.8 Å²	94.8	8%	0.083	47%	0.471	C	S	.	.	H	α-helix	trans	-68.7	-41.1	176.9	0	0	0	0	0	111.6	D11 Y194 G195 R200 Q201 L202	D11-A198 VanDerWaalsContact O-CB 3.3Å; D11-A198 WeakPolarHBondContact O-CB 3.44Å; Y194-A198 HydrophobicContact CD1-CB 3.77Å; Y194-A198 HydrophobicContact CG-CB 4.36Å; G195-A198 PolarHBondContact O-N 3.39Å; G195-A198 VanDerWaalsContact O-N 3.09Å; A198-R200 VanDerWaalsContact C-N 3.29Å; A198-R200 PolarHBondContact O-N 3.47Å; A198-Q201 PolarHBondContact O-N 3.03Å; A198-Q201 VanDerWaalsContact O-N 3.11Å; A198-L202 WeakPolarHBondContact O-CG 3.42Å; A198-L202 PolarHBondContact O-N 2.84Å
199	L	69.5	Low	69	Low	66 Å²	66	94.7 Å²	94.7	35%	0.346	47%	0.468	S	S	.	.	H	α-helix	trans	-62.5	-34.8	176.1	-69.4	173.7	0	0	0	112.4	G195 L202 R203	G195-L199 PolarHBondContact O-N 3.3Å; L199-L202 HydrophobicContact CD2-CD1 4.5Å; L199-R203 WeakPolarHBondContact O-CB 3.49Å; L199-R203 VanDerWaalsContact O-CG 3.24Å; L199-R203 WeakPolarHBondContact O-CG 3.46Å; L199-R203 PolarHBondContact O-N 2.56Å; L199-R203 VanDerWaalsContact O-N 3.08Å
200	R	69.6	Low	66.8	Low	161 Å²	161	96.1 Å²	96.1	61%	0.608	48%	0.475	S	S	*	.	H	α-helix	trans	-67	-37.3	173.1	-74.8	174.2	-169	175.1	6.2	112.4	D196 A197 A198 R203 S204	D196-R200 WeakPolarHBondContact O-CB 3.26Å; D196-R200 VanDerWaalsContact O-CG 3.25Å; D196-R200 WeakPolarHBondContact O-CG 3.46Å; D196-R200 PolarHBondContact O-N 3.21Å; A197-R200 PolarHBondContact O-N 3.33Å; A198-R200 VanDerWaalsContact C-N 3.29Å; A198-R200 PolarHBondContact O-N 3.47Å; R200-R203 PolarHBondContact O-N 3.25Å; R200-S204 PolarHBondContact O-N 2.87Å; R200-S204 VanDerWaalsContact O-N 3.13Å
201	Q	70	Confident	64.6	Low	125 Å²	125	101.1 Å²	101.1	58%	0.584	51%	0.508	S	S	*	.	H	α-helix	trans	-72.8	-33.8	176.2	-69.1	178.3	14.1	0	0	112.7	A197 A198 R203 S204	A197-Q201 PolarHBondContact O-N 2.79Å; A198-Q201 PolarHBondContact O-N 3.03Å; A198-Q201 VanDerWaalsContact O-N 3.11Å; Q201-R203 VanDerWaalsContact C-N 3.32Å; Q201-S204 PolarHBondContact O-OG 3.08Å; Q201-S204 VanDerWaalsContact O-OG 3.05Å
202	L	62.5	Low	62.4	Low	112 Å²	112	108 Å²	108	59%	0.586	54%	0.541	S	S	*	.	H	α-helix	trans	-70.1	-29.8	173.7	-72.7	166.7	0	0	0	112.4	Y194 A198 L199	Y194-L202 HydrophobicContact CD2-CD1 4.42Å; Y194-L202 HydrophobicContact CG-CD1 4.43Å; A198-L202 WeakPolarHBondContact O-CG 3.42Å; A198-L202 PolarHBondContact O-N 2.84Å; L199-L202 HydrophobicContact CD2-CD1 4.5Å
203	R	61.5	Low	60.2	Low	203 Å²	203	112 Å²	112	77%	0.766	57%	0.574	S	S	*	*	H	α-helix	trans	-88.5	-15.4	179.9	-73.3	178.7	179.1	-164.9	1.4	114.6	L199 R200 Q201 P205	L199-R203 WeakPolarHBondContact O-CB 3.49Å; L199-R203 VanDerWaalsContact O-CG 3.24Å; L199-R203 WeakPolarHBondContact O-CG 3.46Å; L199-R203 PolarHBondContact O-N 2.56Å; L199-R203 VanDerWaalsContact O-N 3.08Å; R200-R203 PolarHBondContact O-N 3.25Å; Q201-R203 VanDerWaalsContact C-N 3.32Å; R203-P205 VanDerWaalsContact O-CD 3.24Å; R203-P205 WeakPolarHBondContact O-CD 3.19Å
204	S	52.3	Low	58.1	Low	71 Å²	71	115.2 Å²	115.2	50%	0.497	59%	0.589	S	S	.	*	S	Bend	trans	-69	117	175	59.4	0	0	0	0	107.9	R200 Q201 R206	R200-S204 PolarHBondContact O-N 2.87Å; R200-S204 VanDerWaalsContact O-N 3.13Å; Q201-S204 PolarHBondContact O-OG 3.08Å; Q201-S204 VanDerWaalsContact O-OG 3.05Å; S204-R206 PolarHBondContact O-N 3.32Å
205	P	46.5	Very low	56	Low	117 Å²	117	121.5 Å²	121.5	76%	0.76	62%	0.621	S	S	*	*			trans	-59.4	122.8	172.9	-12.7	25.7	0	0	0	105.8	R203 R207	R203-P205 VanDerWaalsContact O-CD 3.24Å; R203-P205 WeakPolarHBondContact O-CD 3.19Å; P205-R207 VanDerWaalsContact C-N 3.32Å; P205-R207 PolarHBondContact O-N 2.69Å
206	R	50.4	Low	53.7	Low	243 Å²	243	127.4 Å²	127.4	92%	0.917	66%	0.661	S	S	*	*			trans	-48.3	108.8	164.3	-81.9	-177.2	173.6	-171.6	-1.2	105.1	S204 A208	S204-R206 PolarHBondContact O-N 3.32Å; R206-A208 VanDerWaalsContact C-N 3.26Å; R206-A208 PolarHBondContact O-N 3.24Å
207	R	41.8	Very low	52.3	Low	235 Å²	235	126.8 Å²	126.8	89%	0.887	67%	0.673	S	S	*	*			trans	-50.3	103.1	173.9	-173	177.8	-178.3	-174.5	0.3	104.1	P205 Q209	P205-R207 VanDerWaalsContact C-N 3.32Å; P205-R207 PolarHBondContact O-N 2.69Å; R207-Q209 VanDerWaalsContact C-N 3.31Å; R207-Q209 PolarHBondContact O-N 3.26Å
208	A	43	Very low	51.4	Low	89 Å²	89	135.8 Å²	135.8	74%	0.736	73%	0.732	S	S	*	*			trans	-54.9	108.1	179.6	0	0	0	0	0	104.1	R206 A210	R206-A208 VanDerWaalsContact C-N 3.26Å; R206-A208 PolarHBondContact O-N 3.24Å; A208-A210 PolarHBondContact O-N 3.25Å
209	Q	39	Very low	50.5	Low	187 Å²	187	142.1 Å²	142.1	87%	0.874	77%	0.765	S	S	*	*			trans	-64.3	90.5	163.1	-77.9	176.1	-14.1	0	0	103.2	R207 P211	R207-Q209 VanDerWaalsContact C-N 3.31Å; R207-Q209 PolarHBondContact O-N 3.26Å; Q209-P211 WeakPolarHBondContact O-CD 3.29Å
210	A	39.7	Very low	49.5	Very low	75 Å²	75	146.1 Å²	146.1	62%	0.62	79%	0.787	S	S	*	*			trans	-55.7	120.3	164.9	0	0	0	0	0	105.1	A208 N212	A208-A210 PolarHBondContact O-N 3.25Å; A210-N212 PolarHBondContact O-N 2.76Å
211	P	41.7	Very low	48.3	Very low	121 Å²	121	145.2 Å²	145.2	79%	0.786	80%	0.797	S	S	*	*			trans	-61.4	116.6	169	25	-29	0	0	0	105.8	Q209 A213	Q209-P211 WeakPolarHBondContact O-CD 3.29Å; P211-A213 PolarHBondContact O-N 2.78Å
212	N	42.5	Very low	47.1	Very low	161 Å²	161	146.4 Å²	146.4	86%	0.861	81%	0.809	S	S	*	*			trans	-55.6	111.2	166.4	-95	-5.7	0	0	0	106.3	A210 Q214	A210-N212 PolarHBondContact O-N 2.76Å; N212-Q214 PolarHBondContact O-N 2.94Å; N212-Q214 VanDerWaalsContact O-N 3.16Å
213	A	46.1	Very low	46.1	Very low	88 Å²	88	148.6 Å²	148.6	73%	0.727	82%	0.823	S	S	*	*			trans	-52.3	120.6	175.7	0	0	0	0	0	107.9	P211 E215	P211-A213 PolarHBondContact O-N 2.78Å; A213-E215 PolarHBondContact O-N 3.08Å; A213-E215 VanDerWaalsContact O-N 3.09Å
214	Q	47.2	Very low	45.1	Very low	186 Å²	186	144.9 Å²	144.9	87%	0.869	83%	0.827	S	S	*	*			trans	-57.8	113.2	160.7	-82.2	169.2	-50.6	0	0	106.9	N212 C216	N212-Q214 PolarHBondContact O-N 2.94Å; N212-Q214 VanDerWaalsContact O-N 3.16Å; Q214-C216 PolarHBondContact O-N 3.34Å
215	E	45.4	Very low	44.5	Very low	202 Å²	202	150.2 Å²	150.2	94%	0.944	85%	0.85	S	S	*	*			trans	-57.8	106.5	164.4	-74.1	176.9	154	0	0	107.7	A213	A213-E215 PolarHBondContact O-N 3.08Å; A213-E215 VanDerWaalsContact O-N 3.09Å
216	C	36.7	Very low	44.4	Very low	126 Å²	126	152.8 Å²	152.8	85%	0.851	86%	0.857	S	S	*	*			trans	-126.1	119.4	169.3	-168.6	0	0	0	0	106.8	Q214	Q214-C216 PolarHBondContact O-N 3.34Å
217	G	51.5	Low	43.9	Very low	65 Å²	65	145.3 Å²	145.3	67%	0.67	85%	0.852	S	S	*	*			trans	171.1	85.4	175.6	0	0	0	0	0	106.6
218	C	52.2	Low	44.1	Very low	208 Å²	208	137.1 Å²	137.1	100%	1.405	85%	0.849	S	S	*	*				69.8	0	94.2	-65.4	0	0	0	0	111.2

Retrieved 218 of 218 residues in 141.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).