RAB4A_HUMAN Loading...

Ras-related protein Rab-4A

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^1,2. RAB4A is involved in protein transport³. Also plays a role in vesicular traffic. Mediates VEGFR2 endosomal trafficking to enhance VEGFR2 signaling⁴. Acts as a regulator of platelet alpha-granule release during activation and aggregation of platelets (By similarity).

AlphaFold DB , UniProt , Accession P20338, Species HUMAN (Homo sapiens, Human), Gene RAB4A, Length 218 aa.

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(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 142.6 ms (Link to these results)

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